UCSF

ZINC14953495

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 22 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) 1.22 5.15 -35.84 3 6 1 75 301.37 2
Hi High (pH 8-9.5) 1.22 2.79 -6.94 2 6 0 74 300.362 2

Activity (Go SEA)

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