UCSF

ZINC52433712

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 21 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) 0.73 7.1 -10.65 1 7 0 70 285.355 5
Mid Mid (pH 6-8) 0.73 9.3 -43.41 2 7 1 71 286.363 5

Activity (Go SEA)

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