UCSF

ZINC69083114

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 21 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) 2.27 7.86 -33.06 2 4 1 43 291.463 6
Hi High (pH 8-9.5) 2.27 6.27 -8.25 1 4 0 42 290.455 6
Lo Low (pH 4.5-6) 2.27 9.55 -108.66 3 4 2 45 292.471 6
Lo Low (pH 4.5-6) 2.27 7.78 -92.79 3 4 2 48 292.471 6

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

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