UCSF

ZINC70004186

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2011 23 No

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Annotations

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Vendors

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) 2.62 7.11 -40.64 1 6 -1 87 347.397 4
Hi High (pH 8-9.5) 2.66 6.26 -115.09 0 6 -2 87 346.389 4
Mid Mid (pH 6-8) 1.70 8.56 -13 2 6 0 81 348.405 5

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

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