UCSF

ZINC20246063

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 1.63 6.79 -40.32 2 5 1 47 286.403 7
Mid Mid (pH 6-8) 1.63 8.21 -111.02 3 5 2 52 287.411 7
Mid Mid (pH 6-8) 1.63 5.68 -46.07 2 5 1 51 286.403 7

Activity (Go SEA)

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