UCSF

ZINC19816802

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 18 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) 0.31 2.75 -13.51 2 5 0 59 249.314 3
Mid Mid (pH 6-8) 0.31 5.13 -52.01 3 5 1 60 250.322 3

Activity (Go SEA)

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