UCSF

ZINC40181364

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 25 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) 1.72 6.87 -15.17 1 6 0 69 338.411 8
Mid Mid (pH 6-8) 1.72 7.15 -37.02 2 6 1 70 339.419 8

Activity (Go SEA)

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