UCSF

ZINC38575438

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 28 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) 4.89 11.84 -21.72 1 5 0 59 382.448 2
Hi High (pH 8-9.5) 4.96 9.97 -66.25 0 5 -1 66 381.44 2
Lo Low (pH 4.5-6) 4.89 12.28 -41.51 2 5 1 61 383.456 2

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

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