UCSF

ZINC38000179

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 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) 1.65 3.89 -35.61 2 3 1 29 227.372 5
Mid Mid (pH 6-8) 1.65 6.21 -98.7 3 3 2 30 228.38 5

Activity (Go SEA)

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