UCSF

ZINC12222033

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 27 Yes

Popular Name: 1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-[2-(4-pyridyl)pyrrolo[2,3-b]pyridin-1-yl]propan-1-one 1-[(2R,6R)-2,6-dimethylmorpholin…

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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) 1.91 -0.78 -11.93 0 6 0 60 364.449 4 ↓
Lo Low (pH 4.5-6) 1.91 -0.67 -42.13 1 6 1 62 365.457 4 ↓
Lo Low (pH 4.5-6) 1.91 -0.67 -43.99 1 6 1 62 365.457 4 ↓
Lo Low (pH 4.5-6) 1.91 -0.56 -87.72 2 6 2 63 366.465 4 ↓

Activity (Go SEA)

Rings

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