UCSF

ZINC00594302

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 35 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) 4.02 -0.55 -17.12 2 8 0 93 475.593 7
Lo Low (pH 4.5-6) 4.02 -0.38 -44.02 3 8 1 95 476.601 7
Lo Low (pH 4.5-6) 4.02 -0.41 -39.44 3 8 1 95 476.601 7

Activity (Go SEA)

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