UCSF

ZINC13567273

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 31 Yes

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

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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) 4.62 6.54 -48.72 1 7 -1 96 436.513 6 ↓
Mid Mid (pH 6-8) 4.16 8.47 -13.58 2 7 0 93 437.521 6 ↓
Mid Mid (pH 6-8) 4.16 7.94 -18.87 2 7 0 93 437.521 6 ↓

Activity (Go SEA)

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