UCSF

ZINC62942216

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Substance Information

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

Popular Name: 1-[6-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-2-pyridyl]-N-methyl-methanam 1-[6-[(9aR)-1,3,4,5,7,8,9,9a-oct…

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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) 1.32 8.25 -81.44 3 4 2 37 262.401 3 ↓
Hi High (pH 8-9.5) 1.32 5.49 -24.37 2 4 1 33 261.393 3 ↓
Hi High (pH 8-9.5) 1.32 6.67 -36.71 2 4 1 36 261.393 3 ↓
Hi High (pH 8-9.5) 1.32 5.22 -4.56 1 4 0 31 260.385 3 ↓
Lo Low (pH 4.5-6) 1.32 7.07 -81.27 3 4 2 34 262.401 3 ↓

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

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