UCSF

ZINC38907639

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2010 31 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) 2.17 9.73 -14.43 0 6 0 54 411.509 5
Mid Mid (pH 6-8) 2.17 11.93 -54.65 1 6 1 55 412.517 5
Mid Mid (pH 6-8) 2.17 11.75 -38.83 1 6 1 56 412.517 5
Lo Low (pH 4.5-6) 2.17 12.58 -131.13 2 6 2 57 413.525 5

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