UCSF

ZINC25422057

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 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) 1.12 5.8 -40.94 3 5 1 66 286.355 5
Mid Mid (pH 6-8) 1.12 3.39 -15.35 2 5 0 65 285.347 5

Activity (Go SEA)

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