UCSF

ZINC00591033

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 34 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) 1.46 9.46 -44.47 2 9 1 92 484.602 5
Mid Mid (pH 6-8) 1.46 7.25 -20.35 1 9 0 91 483.594 5

Activity (Go SEA)

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