UCSF

ZINC15938997

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2008 31 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) 4.59 11.96 -11 0 5 0 69 416.521 6
Mid Mid (pH 6-8) 4.59 11.91 -12.31 0 5 0 69 416.521 6
Mid Mid (pH 6-8) 4.77 10.97 -11.06 0 5 0 69 416.521 6
Lo Low (pH 4.5-6) 4.77 11.32 -36.08 1 5 1 70 417.529 6
Lo Low (pH 4.5-6) 4.59 12.26 -35.31 1 5 1 70 417.529 6
Lo Low (pH 4.5-6) 4.59 12.3 -31.63 1 5 1 70 417.529 6

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