UCSF

ZINC05593413

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2006 30 No

Popular Name: 6-(carbamoylmethylsulfanyl)-5-cyano-2-methyl-N-(o-tolyl)-4-(3-pyridyl)-1,4-dihydropyridine-3-carboxa 6-(carbamoylmethylsulfanyl)-5-cy…

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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) 1.68 6.53 -26.71 4 7 0 121 419.51 6 ↓
Mid Mid (pH 6-8) 2.01 -4 -16.61 3 7 0 121 419.51 6 ↓
Lo Low (pH 4.5-6) 2.19 -4.89 -17.17 3 7 0 121 419.51 6 ↓
Lo Low (pH 4.5-6) 2.01 -3.88 -48.52 4 7 1 122 420.518 6 ↓
Lo Low (pH 4.5-6) 1.63 -3.28 -49.3 4 7 1 122 420.518 6 ↓

Activity (Go SEA)

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