UCSF

ZINC10516074

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2007 31 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) 3.30 -6.96 -15.89 1 8 0 102 468.597 7
Hi High (pH 8-9.5) 3.30 -6.49 -48.39 0 8 -1 104 467.589 7

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

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