UCSF

ZINC00472126

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 21 Yes

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) 4.56 6.85 -5.69 0 2 0 22 307.193 4
Lo Low (pH 4.5-6) 4.56 7.53 -32.45 1 2 1 23 308.201 4

Activity (Go SEA)

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