UCSF

ZINC69814023

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 27 Yes

Popular Name: 2-methoxy-1-[(2R)-2-(1-thieno[3,2-d]pyrimidin-4-yl-4-piperidyl)azepan-1-yl]ethanone 2-methoxy-1-[(2R)-2-(1-thieno[3,…

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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) 3.03 10.54 -12.81 0 6 0 59 388.537 4 ↓
Lo Low (pH 4.5-6) 3.03 11 -32.01 1 6 1 60 389.545 4 ↓

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

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