UCSF

ZINC62941416

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 20 No

Popular Name: (9aR)-2-[3-(chloromethyl)-4,6-dimethyl-2-pyridyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diaze (9aR)-2-[3-(chloromethyl)-4,6-di…

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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) 3.04 11.41 -83.25 2 3 2 22 295.858 2 ↓
Hi High (pH 8-9.5) 3.04 9.39 -5.29 0 3 0 19 293.842 2 ↓
Mid Mid (pH 6-8) 3.04 9.85 -24.7 1 3 1 21 294.85 2 ↓
Mid Mid (pH 6-8) 3.04 10.95 -31.85 1 3 1 21 294.85 2 ↓

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Rings

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

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