UCSF

ZINC62941873

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 6-[[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methyl]-5-chloro-pyridin-2-amin 6-[[(9aR)-1,3,4,5,7,8,9,9a-octah…

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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) 1.96 5.98 -28.23 3 4 1 47 281.811 2 ↓
Hi High (pH 8-9.5) 1.96 4 -4.64 2 4 0 45 280.803 2 ↓
Mid Mid (pH 6-8) 1.96 5.57 -31.18 3 4 1 47 281.811 2 ↓
Mid Mid (pH 6-8) 1.96 5.94 -76.02 4 4 2 48 282.819 2 ↓

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Rings

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

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