UCSF

ZINC34489226

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 11 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) 0.55 0.69 -3.52 0 3 0 22 159.229 4
Mid Mid (pH 6-8) 0.55 3.07 -31.73 1 3 1 23 160.237 4

Activity (Go SEA)

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