UCSF

ZINC40184600

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) 4.23 10.74 -16.56 1 5 0 60 398.51 6
Lo Low (pH 4.5-6) 4.23 11.18 -33.66 2 5 1 61 399.518 6

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