UCSF

ZINC60023409

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 23 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) 0.81 3.61 -55.25 2 7 -1 113 354.433 4
Mid Mid (pH 6-8) 1.01 3.24 -52.95 3 7 -1 116 354.433 4

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

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