UCSF

ZINC37598501

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2009 18 No

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Annotations

None

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) -2.36 0.03 -61.75 1 8 -1 119 253.238 6
Hi High (pH 8-9.5) -2.18 -0.96 -54.08 1 8 -1 111 253.238 6
Mid Mid (pH 6-8) -2.18 0.87 -37.56 2 8 0 113 254.246 6

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

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