UCSF

ZINC40389807

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 22 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) 3.46 7.04 -9.67 0 4 0 30 301.434 5
Mid Mid (pH 6-8) 3.46 9.3 -50.45 1 4 1 31 302.442 5
Lo Low (pH 4.5-6) 3.46 9.71 -87.92 2 4 2 33 303.45 5

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