UCSF

ZINC51971143

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2010 18 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) 2.99 7.77 -26.8 2 2 1 16 245.39 3
Mid Mid (pH 6-8) 2.99 9.03 -105.44 3 2 2 21 246.398 3
Mid Mid (pH 6-8) 2.99 8.35 -40.31 2 2 1 20 245.39 3

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.