UCSF

ZINC21784020

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 24 No

Popular Name: (5S)-5-(3,4-dihydroxyphenyl)-2-propylsulfanyl-3,5,6,8-tetrahydropyrido[5,6-e]pyrimidine-4,7-dione (5S)-5-(3,4-dihydroxyphenyl)-2-p…

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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) 2.45 0.93 -44.74 3 7 -1 118 346.388 4 ↓
Mid Mid (pH 6-8) 1.99 2.05 -16.24 4 7 0 115 347.396 4 ↓
Mid Mid (pH 6-8) 2.62 0.33 -31.17 4 7 0 123 347.396 4 ↓
Mid Mid (pH 6-8) 2.62 -0.14 -43.78 3 7 -1 122 346.388 4 ↓
Lo Low (pH 4.5-6) 1.99 1.41 -18.83 4 7 0 115 347.396 4 ↓

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