UCSF

ZINC45663740

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 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) 2.87 6.08 -110.77 4 3 2 35 350.37 8
Hi High (pH 8-9.5) 2.87 5.85 -38.57 3 3 1 34 349.362 8
Hi High (pH 8-9.5) 2.87 3.6 -46.77 3 3 1 34 349.362 8

Activity (Go SEA)

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