UCSF

ZINC00608119

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 24 No

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) 1.30 2.53 -20.21 3 6 0 93 369.874 3
Lo Low (pH 4.5-6) 1.30 3.9 -50.82 4 6 1 94 370.882 3

Activity (Go SEA)

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