UCSF

ZINC34830008

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 26 Yes

Popular Name: (2S)-2-[(4R)-4-(o-tolyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-1-piperazin-1-yl-propan-1-one (2S)-2-[(4R)-4-(o-tolyl)-6,7-dih…

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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) 2.77 8.32 -32.95 2 4 1 37 370.542 3 ↓
Hi High (pH 8-9.5) 2.77 7.94 -8.21 1 4 0 36 369.534 3 ↓
Mid Mid (pH 6-8) 2.77 9.65 -95.16 3 4 2 41 371.55 3 ↓
Mid Mid (pH 6-8) 2.77 9.32 -48.73 2 4 1 40 370.542 3 ↓

Activity (Go SEA)

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