UCSF

ZINC00509871

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 16 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) 3.81 9.18 -7.96 0 2 0 18 216.328 4
Mid Mid (pH 6-8) 3.81 9.48 -25.19 1 2 1 19 217.336 4

Activity (Go SEA)

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