UCSF

ZINC65458189

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2011 22 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.37 2.67 -39.52 3 7 1 89 305.358 7
Mid Mid (pH 6-8) 0.37 0.45 -13.94 2 7 0 87 304.35 7

Activity (Go SEA)

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