UCSF

ZINC22794612

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 26 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) -0.05 5.03 -71.54 1 7 0 71 366.506 5
Hi High (pH 8-9.5) -0.05 4.99 -81.45 1 7 0 71 366.506 5
Hi High (pH 8-9.5) -0.05 7.34 -105.71 2 7 1 73 367.514 5

Activity (Go SEA)

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