UCSF

ZINC13062754

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2008 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) 4.75 11.17 -82.49 2 4 2 31 357.885 3
Hi High (pH 8-9.5) 4.76 6.56 -5.9 0 4 0 29 355.869 3
Mid Mid (pH 6-8) 4.76 8.94 -46.89 1 4 1 30 356.877 3

Activity (Go SEA)

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