UCSF

ZINC19831724

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 26 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) 2.28 10.92 -87.1 2 4 2 25 352.526 5
Mid Mid (pH 6-8) 2.28 8.6 -37.49 1 4 1 24 351.518 5
Mid Mid (pH 6-8) 2.28 10.84 -105.9 2 4 2 25 352.526 5

Activity (Go SEA)

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