UCSF

ZINC40182875

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 26 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) 4.16 12.54 -11.88 0 4 0 38 351.494 5
Mid Mid (pH 6-8) 4.16 13.04 -37.71 1 4 1 39 352.502 5

Activity (Go SEA)

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