UCSF

ZINC03200643

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 19 Yes

CAS Number: 4801-79-0

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) 4.27 -2.18 -12.88 3 5 0 81 264.325 7

Activity (Go SEA)

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