UCSF

ZINC42450808

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 0.70 -0.72 -6.63 3 5 0 71 215.297 4
Mid Mid (pH 6-8) 0.71 1.76 -38.94 4 5 1 72 216.305 4
Mid Mid (pH 6-8) 0.70 1.44 -37.09 4 5 1 72 216.305 4

Activity (Go SEA)

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