UCSF

ZINC34224257

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 8 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) -0.07 4.47 -44.07 1 2 1 28 111.168 2
Mid Mid (pH 6-8) -0.07 1.44 -5.07 0 2 0 27 110.16 2

Activity (Go SEA)

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