UCSF

ZINC20429230

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 11 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) -0.44 3.81 -95.58 4 3 2 47 155.245 3
Mid Mid (pH 6-8) -0.44 3.37 -55.4 3 3 1 45 154.237 3

Activity (Go SEA)

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