UCSF

ZINC12948471

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 35 Yes

Popular Name: (7S)-7-(3,4-dimethoxyphenyl)-2-(3-hydroxypropyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]tri (7S)-7-(3,4-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) 2.40 8.02 -15.92 3 10 0 120 479.537 9 ↓
Mid Mid (pH 6-8) 2.58 7.75 -48.12 2 10 -1 121 478.529 9 ↓

Activity (Go SEA)

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