UCSF

ZINC20109746

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 31 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) 4.17 12.04 -33.88 3 6 1 82 425.549 9
Mid Mid (pH 6-8) 4.17 12.1 -79.03 3 6 1 82 425.549 9
Mid Mid (pH 6-8) 4.17 12.73 -55.36 2 6 0 85 424.541 9

Activity (Go SEA)

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