UCSF

ZINC05287121

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 25 No

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Annotations

Vendors

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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) 3.48 4.39 -12.28 1 6 0 79 362.451 7
Hi High (pH 8-9.5) 3.48 5.17 -52.42 0 6 -1 82 361.443 7
Lo Low (pH 4.5-6) 3.48 4.91 -40.01 2 6 1 81 363.459 7

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