UCSF

ZINC53683148

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 46 No

Popular Name: Rescinnamine Rescinnamine

Find On: PubMed — Wikipedia — Google

CAS Number: 24815-24-5

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) 5.43 13.33 -49.7 2 11 1 119 635.734 11 ↓
Mid Mid (pH 6-8) 5.43 11.24 -20.02 1 11 0 118 634.726 11 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 3.49e-03 g/l DrugBank-approved
PUBCHEM_PATENT_ID EP0005365A1; EP0011246A1; EP0033797A1; EP0061186A1; EP0061187A1; EP0107941A1; EP0123948A1; EP0156321A2; EP0156322A2; EP0157409A2; EP0159167A2; EP0159167B1; EP0159168A2; EP0166353A2; EP0166353B1; EP0173990A2; EP0176956A2; EP0176956B1; EP0205511A1; EP024082 IBM Patent Data

Activity (Go SEA)

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