UCSF

ZINC20129117

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 18 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) 3.10 7.65 -37.02 2 2 1 16 316.238 6
Mid Mid (pH 6-8) 3.10 9.07 -117.36 3 2 2 21 317.246 6
Mid Mid (pH 6-8) 3.10 6.55 -50.46 2 2 1 20 316.238 6

Activity (Go SEA)

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