UCSF

ZINC04097180

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 23 Yes

CAS Number: 524-63-0

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) 2.52 -2.74 -43.67 3 4 1 57 311.405 3
Lo Low (pH 4.5-6) 2.52 -2.64 -93.59 4 4 2 59 312.413 3

Activity (Go SEA)

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