UCSF

ZINC01433280

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 16 No

Popular Name: MITOZOLOMIDE MITOZOLOMIDE

Find On: PubMed — Wikipedia — Google

CAS Number: 85622-95-3

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) -1.29 -1.99 -9.56 2 8 0 108 242.626 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80552-1-O TLX-5 (cluster #1 Of 1), Other Other 2500 0.49 Functional ≤ 10μM
Z80870-2-O GM892A Cell Line (cluster #2 Of 2), Other Other 4800 0.47 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80870 Z80870 GM892A Cell Line 4800 0.47 Functional ≤ 10μM
Z80552 Z80552 TLX-5 2500 0.49 Functional ≤ 10μM

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