UCSF

ZINC09144823

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2007 34 No

Popular Name: 5-cyano-6-[(3-methoxyphenyl)methylsulfanyl]-2-methyl-N-phenyl-4-(3-pyridyl)-1,4-dihydropyridine-3-ca 5-cyano-6-[(3-methoxyphenyl)meth…

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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) 4.17 11.76 -23.08 2 6 0 87 468.582 7 ↓
Mid Mid (pH 6-8) 4.69 -1.76 -12.39 1 6 0 87 468.582 7 ↓
Mid Mid (pH 6-8) 4.69 -0.32 -15.52 1 6 0 87 468.582 7 ↓
Mid Mid (pH 6-8) 4.51 -1.65 -11.93 1 6 0 87 468.582 7 ↓
Lo Low (pH 4.5-6) 4.69 -1.65 -44.67 2 6 1 88 469.59 7 ↓
Lo Low (pH 4.5-6) 4.13 -0.08 -48.55 2 6 1 88 469.59 7 ↓
Lo Low (pH 4.5-6) 4.69 -0.21 -45.51 2 6 1 88 469.59 7 ↓
Lo Low (pH 4.5-6) 4.51 -1.53 -42.92 2 6 1 88 469.59 7 ↓

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