UCSF

ZINC71758617

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2011 26 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) -4.96 -5.29 -78.38 6 11 0 176 372.378 9
Hi High (pH 8-9.5) -4.96 -6.09 -66.2 5 11 -1 174 371.37 9

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

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