UCSF

ZINC34981183

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 1.52 5.39 -46.67 2 5 1 59 269.365 9
Hi High (pH 8-9.5) 1.52 4.03 -5.27 1 5 0 55 268.357 9
Mid Mid (pH 6-8) 1.52 7.51 -122.56 3 5 2 60 270.373 9
Mid Mid (pH 6-8) 1.52 6.14 -37.97 2 5 1 56 269.365 9

Activity (Go SEA)

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