UCSF

ZINC38809152

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 -114.67 4 3 2 41 250.386 4
Hi High (pH 8-9.5) 1.89 6.38 -26.67 3 3 1 40 249.378 4
Hi High (pH 8-9.5) 1.89 5.12 -38.38 3 3 1 40 249.378 4

Activity (Go SEA)

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