UCSF

ZINC05343839

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 26 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) 2.27 3.51 -12.05 3 6 0 89 353.353 4
Hi High (pH 8-9.5) 2.25 3.89 -46.13 1 6 -1 88 352.345 4
Hi High (pH 8-9.5) 2.25 3.46 -60.81 1 6 -1 88 352.345 4
Hi High (pH 8-9.5) 2.27 4.24 -40.56 2 6 -1 92 352.345 4
Mid Mid (pH 6-8) 2.28 4.28 -52.03 2 6 -1 92 352.345 4

Activity (Go SEA)

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