UCSF

ZINC39050837

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 9 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) 1.44 1.01 -18.5 1 2 0 37 131.081 0
Mid Mid (pH 6-8) 1.44 -0.23 -8.16 1 2 0 33 131.081 0
Mid Mid (pH 6-8) 1.44 0.52 -37.23 0 2 -1 36 130.073 0
Lo Low (pH 4.5-6) 1.44 0.25 -30.72 2 2 1 34 132.089 0

Activity (Go SEA)

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