UCSF

ZINC71544599

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 17 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) 1.81 4.38 -36.89 2 3 1 29 235.351 4
Hi High (pH 8-9.5) 1.81 2.88 -3.64 1 3 0 24 234.343 4
Lo Low (pH 4.5-6) 1.81 6.63 -100.2 3 3 2 30 236.359 4

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

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