UCSF

ZINC40181220

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 30 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) 1.32 9.99 -14.85 0 7 0 71 405.502 5
Lo Low (pH 4.5-6) 1.32 10.94 -35.67 1 7 1 73 406.51 5

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