UCSF

ZINC71519056

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 15 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) 0.34 1.05 -35.92 2 4 1 38 215.317 4
Hi High (pH 8-9.5) 0.34 -0.39 -3.91 1 4 0 34 214.309 4
Lo Low (pH 4.5-6) 0.34 3.42 -93.63 3 4 2 40 216.325 4

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

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