UCSF

ZINC61320720

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 19 No

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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) 2.14 5.78 -6.73 1 3 0 38 271.389 3
Mid Mid (pH 6-8) 2.14 6.61 -42.99 2 3 1 42 272.397 3

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

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