UCSF

ZINC19885169

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 14 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) 1.52 5.51 -50.32 2 3 1 43 198.217 5
Mid Mid (pH 6-8) 1.52 4.1 -7.77 1 3 0 38 197.209 5

Activity (Go SEA)

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