UCSF

ZINC00897095

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 15 No

Popular Name: 4-Hydroxycyclophosphamide 4-Hydroxycyclophosphamide

Find On: PubMed — Wikipedia — Google

CAS Number: 40277-05-2

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.10 -5.3 -10.27 2 5 0 61 277.088 5 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0465512A1; EP0465512B1; EP0567031A1; EP0642799A1; EP0647450A1; EP0746336A1; EP0749472A1; EP0776161A1; EP0871487A1; EP0961824A1; US4618692; US4623742; US4716242; US4841085; US4929607; US5055459; US5091552; US5187266; US5190929; US5407925; US5621002; US56 IBM Patent Data
Reactome Database Links REACT_13515 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z81264-2-O V79 (Lung Fibroblasts) (cluster #2 Of 2), Other Other 3300 0.51 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z81264 Z81264 V79 (Lung Fibroblasts) 3300 0.51 Functional ≤ 10μM

Direct Reactome Annotations (via ChEBI)

Description Species
Xenobiotics

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.