UCSF

ZINC12209027

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 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) 2.96 4.67 -17.71 1 6 0 84 380.491 4
Hi High (pH 8-9.5) 2.96 4.75 -47.1 0 6 -1 86 379.483 4

Activity (Go SEA)

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