UCSF

ZINC71522643

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2011 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 1.91 3.74 -40.5 3 3 1 38 221.324 4
Hi High (pH 8-9.5) 1.91 3.51 -37.42 3 3 1 38 221.324 4
Hi High (pH 8-9.5) 1.91 2.4 -3.07 2 3 0 33 220.316 4
Lo Low (pH 4.5-6) 1.91 4.85 -124.14 4 3 2 42 222.332 4

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

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