UCSF

ZINC46239296

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2010 21 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) 3.29 9.47 -45.96 2 3 1 34 289.443 7
Mid Mid (pH 6-8) 3.29 7.19 -8.34 1 3 0 32 288.435 7

Activity (Go SEA)

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