UCSF

ZINC43912963

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 3.27 8.39 -37.14 2 4 1 38 289.484 14
Hi High (pH 8-9.5) 3.27 3.5 -3.42 1 4 0 34 288.476 14
Mid Mid (pH 6-8) 3.27 6.13 -27.38 2 4 1 35 289.484 14

Activity (Go SEA)

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