UCSF

ZINC13567351

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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-[(4-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) 3.66 8.52 -14.28 2 7 0 93 441.484 6 ↓
Mid Mid (pH 6-8) 3.66 7.97 -19.47 2 7 0 93 441.484 6 ↓

Activity (Go SEA)

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