UCSF

ZINC13567353

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Substance Information

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

Popular Name: (5S)-5-(2,3-dimethoxyphenyl)-2-[(2-fluorophenyl)methylsulfanyl]-3,5,6,8-tetrahydropyrido[5,6-e]pyrim (5S)-5-(2,3-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
Mid Mid (pH 6-8) 3.61 8.48 -13.38 2 7 0 93 441.484 6 ↓
Mid Mid (pH 6-8) 3.61 7.93 -19.83 2 7 0 93 441.484 6 ↓

Activity (Go SEA)

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