UCSF

ZINC67743738

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 24 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) 3.03 9.36 -36.56 3 6 1 71 327.456 3
Hi High (pH 8-9.5) 3.03 8.9 -11.89 2 6 0 70 326.448 3
Lo Low (pH 4.5-6) 3.03 9.25 -76.07 4 6 2 72 328.464 3
Lo Low (pH 4.5-6) 3.03 9.11 -75.76 4 6 2 72 328.464 3

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

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