UCSF

ZINC19833121

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 13 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) 0.25 3.62 -9.45 2 4 0 66 176.223 3
Mid Mid (pH 6-8) 0.25 3.96 -35.56 3 4 1 67 177.231 3

Activity (Go SEA)

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