UCSF

ZINC43353894

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2010 16 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) 0.71 5.07 -37.24 3 3 1 43 220.34 5
Hi High (pH 8-9.5) 0.71 3.53 -3.12 2 3 0 42 219.332 5
Mid Mid (pH 6-8) 0.71 3.79 -44.49 3 3 1 44 220.34 5
Mid Mid (pH 6-8) 0.71 5.37 -120.04 4 3 2 45 221.348 5

Activity (Go SEA)

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