UCSF

ZINC40192387

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 34 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) 4.44 11.86 -17.95 1 7 0 75 459.546 12
Mid Mid (pH 6-8) 4.44 12.35 -42.72 2 7 1 76 460.554 12

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