UCSF

ZINC50905996

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2010 21 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) 3.59 9.39 -36.51 2 4 1 34 293.479 7
Hi High (pH 8-9.5) 3.59 7.14 -5.23 1 4 0 33 292.471 7
Mid Mid (pH 6-8) 3.59 9.52 -91.84 3 4 2 36 294.487 7

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

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