UCSF

ZINC43912969

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 7.03 -36.52 2 4 1 38 289.484 14
Hi High (pH 8-9.5) 3.27 4.2 -2.46 1 4 0 34 288.476 14
Mid Mid (pH 6-8) 3.27 5.89 -27 2 4 1 35 289.484 14

Activity (Go SEA)

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