UCSF

ZINC43417534

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 1.54 6.88 -81.28 4 4 2 49 262.401 7
Hi High (pH 8-9.5) 1.54 7.72 -33.78 3 4 1 48 261.393 7
Mid Mid (pH 6-8) 1.54 5.6 -47.3 3 4 1 48 261.393 7
Lo Low (pH 4.5-6) 1.54 8.1 -100.94 4 4 2 49 262.401 7

Activity (Go SEA)

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