UCSF

ZINC65526378

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 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) 1.45 3.06 -46.68 5 5 1 86 287.387 5
Hi High (pH 8-9.5) 1.45 2.68 -8.57 4 5 0 84 286.379 5
Lo Low (pH 4.5-6) 1.45 4.66 -95.48 6 5 2 87 288.395 5

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

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