UCSF

ZINC40873087

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 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) 2.54 2.53 -7.5 3 4 0 62 285.343 3
Mid Mid (pH 6-8) 2.54 3.66 -43.37 4 4 1 66 286.351 3

Activity (Go SEA)

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