UCSF

ZINC19810963

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 15 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) -0.89 0.91 -14.04 1 5 0 53 211.265 3
Mid Mid (pH 6-8) -0.89 3.19 -50.3 2 5 1 54 212.273 3

Activity (Go SEA)

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