UCSF

ZINC67318715

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 2011 22 No

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) 0.77 4.68 -11.89 2 6 0 79 305.378 7
Hi High (pH 8-9.5) 0.96 3.96 -57.15 1 6 -1 85 304.37 7

Activity (Go SEA)

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