UCSF

ZINC42780058

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 21 Yes

Popular Name: 3-[2-[[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methyl]phenyl]prop-2-yn-1-amine 3-[2-[[(4S)-4-methyl-6,7-dihydro…

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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) 2.52 7.44 -47.41 3 2 1 31 297.447 2 ↓
Hi High (pH 8-9.5) 2.52 7.2 -5.6 2 2 0 29 296.439 2 ↓
Mid Mid (pH 6-8) 2.52 9.38 -99.21 4 2 2 32 298.455 2 ↓

Activity (Go SEA)

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