UCSF

ZINC43971114

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 20 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) 1.34 3.18 -35.25 2 5 1 48 289.44 11
Hi High (pH 8-9.5) 1.34 2.86 -3.07 1 5 0 43 288.432 11
Mid Mid (pH 6-8) 1.34 3.96 -30.85 2 5 1 44 289.44 11

Activity (Go SEA)

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