UCSF

ZINC40180861

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 31 Yes

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Annotations

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) 2.77 9.88 -16.71 1 7 0 80 419.529 6
Mid Mid (pH 6-8) 2.77 10.25 -35.08 2 7 1 81 420.537 6

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