UCSF

ZINC66861546

Substance Information

In ZINC since Heavy atoms Benign functionality
September 2nd, 2011 23 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) 0.78 6.65 -13.61 0 5 0 44 335.473 5
Lo Low (pH 4.5-6) 0.78 8.81 -46.84 1 5 1 45 336.481 5

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

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