UCSF

ZINC41720464

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 20 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) 2.18 4.28 -30.02 2 4 1 39 272.372 5
Hi High (pH 8-9.5) 2.18 3.85 -8.5 1 4 0 37 271.364 5
Mid Mid (pH 6-8) 2.18 6.55 -85.37 3 4 2 40 273.38 5

Activity (Go SEA)

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