UCSF

ZINC39074171

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 11 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) 0.63 1.21 -5.94 1 3 0 42 152.128 0
Ref Reference (pH 7) 1.48 -0.12 -38.37 1 3 -1 52 151.12 0
Mid Mid (pH 6-8) 1.48 -0.9 -6.86 2 3 0 49 152.128 0
Lo Low (pH 4.5-6) 1.02 1.25 -16.36 2 3 0 49 152.128 0

Activity (Go SEA)

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