UCSF

ZINC00417138

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 22 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) 4.44 0.74 -10.71 1 3 0 29 293.414 5
Mid Mid (pH 6-8) 4.44 0.92 -24.56 2 3 1 30 294.422 5

Activity (Go SEA)

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