UCSF

ZINC51826621

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2010 18 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) 0.78 3 -48.1 3 5 1 66 271.724 4
Mid Mid (pH 6-8) 0.78 0.74 -12.96 2 5 0 65 270.716 4

Activity (Go SEA)

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