UCSF

ZINC21784431

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 24 Yes

Popular Name: (5S)-5-(3-bromo-4-methoxy-phenyl)-2-ethylsulfanyl-3,5,6,8-tetrahydropyrido[5,6-e]pyrimidine-4,7-dion (5S)-5-(3-bromo-4-methoxy-phenyl…

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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) 3.25 6.04 -10.94 2 6 0 84 410.293 4 ↓
Mid Mid (pH 6-8) 3.25 5.51 -17.67 2 6 0 84 410.293 4 ↓
Mid Mid (pH 6-8) 3.71 4.1 -40.82 1 6 -1 87 409.285 4 ↓

Activity (Go SEA)

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