UCSF

ZINC19944050

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 19 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) 0.47 6.54 -8.17 2 3 0 46 252.317 3
Ref Reference (pH 7) 0.47 6.54 -6.65 2 3 0 46 252.317 3
Mid Mid (pH 6-8) 0.47 6.84 -45.54 3 3 1 48 253.325 3
Mid Mid (pH 6-8) 0.47 6.85 -45.26 3 3 1 48 253.325 3

Activity (Go SEA)

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