UCSF

ZINC67674676

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2011 24 Yes

Popular Name: 3-[[4-(3-hydroxyprop-1-ynyl)-2-thienyl]methyl]-12-methyl-3,8,12-triazaspiro[5.6]dodecan-7-one 3-[[4-(3-hydroxyprop-1-ynyl)-2-t…

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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) 0.86 2.87 -44.36 3 5 1 57 348.492 2 ↓
Mid Mid (pH 6-8) 0.86 3.5 -43.39 3 5 1 57 348.492 2 ↓
Mid Mid (pH 6-8) 0.86 1.19 -13.33 2 5 0 56 347.484 2 ↓

Activity (Go SEA)

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