UCSF

ZINC39916843

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 21 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) 4.26 11.92 -39.46 1 3 1 22 286.443 7
Mid Mid (pH 6-8) 4.26 9.5 -7.39 0 3 0 21 285.435 7
Mid Mid (pH 6-8) 4.26 10 -24.69 1 3 1 22 286.443 7
Lo Low (pH 4.5-6) 4.26 12.35 -102.96 2 3 2 24 287.451 7

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