UCSF

ZINC39916890

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 25 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) 4.72 13.4 -37.45 1 3 1 22 332.471 5
Mid Mid (pH 6-8) 4.72 10.99 -10.02 0 3 0 21 331.463 5
Mid Mid (pH 6-8) 4.72 11.68 -25.52 1 3 1 22 332.471 5
Lo Low (pH 4.5-6) 4.72 13.97 -102.14 2 3 2 24 333.479 5

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