UCSF

ZINC05729165

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 13 No

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) 0.88 2.45 -13.56 1 4 0 63 174.159 1
Mid Mid (pH 6-8) 1.34 0.47 -50.72 0 4 -1 66 173.151 1
Mid Mid (pH 6-8) 0.88 1.86 -27.03 1 4 0 63 174.159 1

Activity (Go SEA)

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