UCSF

ZINC38809150

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2010 18 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) 1.89 6.46 -115.1 4 3 2 41 250.386 4
Hi High (pH 8-9.5) 1.89 6.35 -26.54 3 3 1 40 249.378 4
Hi High (pH 8-9.5) 1.89 4.43 -41.83 3 3 1 40 249.378 4

Activity (Go SEA)

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