UCSF

ZINC40528252

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 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) -0.10 3.24 -46.73 3 6 1 78 246.294 5
Hi High (pH 8-9.5) -0.10 0.98 -15.77 2 6 0 77 245.286 5

Activity (Go SEA)

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