UCSF

ZINC43339925

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2010 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) 1.79 6.56 -29.24 3 3 1 43 248.394 4
Mid Mid (pH 6-8) 1.79 6.89 -108.95 4 3 2 45 249.402 4
Lo Low (pH 4.5-6) 1.79 5.44 -99.17 4 3 2 45 249.402 4

Activity (Go SEA)

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