UCSF

ZINC34049966

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2009 15 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) 0.63 1.44 -7.99 3 5 0 65 212.297 6
Mid Mid (pH 6-8) 0.63 1.54 -28.35 4 5 1 66 213.305 6

Activity (Go SEA)

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