UCSF

ZINC42628392

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2010 21 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) 1.08 4.96 -79.54 3 5 2 46 290.411 4
Hi High (pH 8-9.5) 1.08 2.23 -10.73 1 5 0 44 288.395 4
Mid Mid (pH 6-8) 1.08 4.51 -44.11 2 5 1 45 289.403 4
Mid Mid (pH 6-8) 1.08 4.46 -45.87 2 5 1 45 289.403 4
Mid Mid (pH 6-8) 1.08 2.68 -28.42 2 5 1 45 289.403 4

Activity (Go SEA)

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