UCSF

ZINC38835891

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2010 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.63 12.22 -22.59 0 4 0 46 411.889 5
Lo Low (pH 4.5-6) 4.63 13.3 -40.75 1 4 1 47 412.897 5

Activity (Go SEA)

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