UCSF

ZINC62941415

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 18 No

Popular Name: (9aR)-2-[2-(chloromethyl)-4-pyridyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine (9aR)-2-[2-(chloromethyl)-4-pyri…

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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) 2.34 8.8 -83.1 2 3 2 22 267.804 2 ↓
Hi High (pH 8-9.5) 2.34 8.37 -38.64 1 3 1 21 266.796 2 ↓
Hi High (pH 8-9.5) 2.34 6.79 -4.92 0 3 0 19 265.788 2 ↓
Mid Mid (pH 6-8) 2.34 7.21 -29.91 1 3 1 21 266.796 2 ↓

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

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