UCSF

ZINC69774159

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 19 Yes

Popular Name: N,N-dimethyl-1-[(2S)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]methanamine N,N-dimethyl-1-[(2S)-4-(7H-pyrro…

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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) 0.64 6.7 -38.03 2 6 1 58 262.337 3 ↓
Hi High (pH 8-9.5) 0.64 4.17 -9.01 1 6 0 57 261.329 3 ↓
Lo Low (pH 4.5-6) 0.64 7.17 -77.23 3 6 2 60 263.345 3 ↓

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

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