UCSF

ZINC13252468

Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 25 No

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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) 1.07 2.62 -116.61 1 8 -2 139 366.395 6
Lo Low (pH 4.5-6) 1.07 0.11 -66.22 2 8 -1 136 367.403 6

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

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