UCSF

ZINC69902504

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 25 Yes

Popular Name: (2S)-2-(1-thieno[3,2-d]pyrimidin-4-yl-4-piperidyl)azepane-1-carboxamide (2S)-2-(1-thieno[3,2-d]pyrimidin…

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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) 3.00 7.58 -11.55 2 6 0 75 359.499 2 ↓
Lo Low (pH 4.5-6) 3.00 8.04 -30.51 3 6 1 77 360.507 2 ↓

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

No pre-computed analogs available. Try a structural similarity search.