UCSF

ZINC46671222

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 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) 0.71 1.52 -14.31 1 7 0 90 290.323 8
Lo Low (pH 4.5-6) 0.71 2.07 -38.69 2 7 1 91 291.331 8

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

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