UCSF

ZINC45371656

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 25 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) -0.71 -0.72 -55 5 9 1 138 360.362 7
Hi High (pH 8-9.5) -0.25 -2.89 -57.67 3 9 -1 140 358.346 7
Mid Mid (pH 6-8) -0.71 -1.05 -14.82 4 9 0 137 359.354 7

Activity (Go SEA)

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