UCSF

ZINC59815691

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 26 Yes

Download: MOL2 SDF SMILES Flexibase

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) -1.02 -1.5 -62.58 6 8 1 127 366.438 9
Hi High (pH 8-9.5) -1.02 -1.87 -16.84 5 8 0 125 365.43 9

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

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