UCSF

ZINC43252395

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 4.31 6.72 -43.23 3 2 1 31 289.896 8
Hi High (pH 8-9.5) 4.31 5.96 -1.06 2 2 0 29 288.888 8
Mid Mid (pH 6-8) 4.31 8.19 -34.02 3 2 1 30 289.896 8
Mid Mid (pH 6-8) 4.31 8.52 -118.2 4 2 2 32 290.904 8

Activity (Go SEA)

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