UCSF

ZINC20830230

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 24 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) 2.81 7.13 -20.84 1 7 0 91 346.412 4
Hi High (pH 8-9.5) 2.88 6.09 -46.23 0 7 -1 97 345.404 4
Mid Mid (pH 6-8) 2.81 9.34 -52.84 2 7 1 92 347.42 4

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