UCSF

ZINC38907756

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2010 32 Yes

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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) 4.54 13.24 -16.31 0 5 0 41 430.596 7
Mid Mid (pH 6-8) 4.54 13.66 -37.3 1 5 1 43 431.604 7
Lo Low (pH 4.5-6) 4.54 15.78 -129.13 2 5 2 44 432.612 7
Lo Low (pH 4.5-6) 4.54 15.44 -58.69 1 5 1 43 431.604 7

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