UCSF

ZINC40176977

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 25 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) 2.22 8.83 -10.54 1 4 0 53 352.356 3
Mid Mid (pH 6-8) 3.52 8.18 -49.05 0 4 -1 56 351.348 3

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