UCSF

ZINC13680430

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 35 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) 4.27 5.5 -20.69 3 9 0 131 517.629 9
Hi High (pH 8-9.5) 4.27 5.59 -50.83 2 9 -1 133 516.621 9
Hi High (pH 8-9.5) 4.27 5.59 -43.93 2 9 -1 133 516.621 9
Hi High (pH 8-9.5) 4.27 5.68 -95.73 1 9 -2 135 515.613 9

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

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