UCSF

ZINC40965353

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 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) 4.20 10.76 -25.05 1 2 1 19 237.326 1
Mid Mid (pH 6-8) 4.20 10.73 -9.78 0 2 0 17 236.318 1

Activity (Go SEA)

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