UCSF

ZINC40505940

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 19 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) 3.77 8.02 -39.09 2 2 1 26 276.322 9
Mid Mid (pH 6-8) 3.77 7.07 -3.73 1 2 0 21 275.314 9

Activity (Go SEA)

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