UCSF

ZINC40864807

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 29 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) 3.64 7.93 -52.91 4 6 1 83 437.326 5
Mid Mid (pH 6-8) 3.64 8.41 -96.13 5 6 2 84 438.334 5

Activity (Go SEA)

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