UCSF

ZINC19889853

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 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) 2.19 6.37 -34.84 1 3 1 11 292.422 3
Mid Mid (pH 6-8) 2.19 6.4 -42.11 1 3 1 11 292.422 3
Mid Mid (pH 6-8) 2.19 8.65 -109.71 2 3 2 12 293.43 3

Activity (Go SEA)

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