UCSF

ZINC62941875

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 21 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-N-ethyl-pyridi 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) 2.71 7.25 -27.6 2 4 1 33 309.865 4 ↓
Hi High (pH 8-9.5) 2.71 5.27 -4.74 1 4 0 31 308.857 4 ↓
Mid Mid (pH 6-8) 2.71 6.85 -30.6 2 4 1 33 309.865 4 ↓
Mid Mid (pH 6-8) 2.71 7.66 -74.23 3 4 2 34 310.873 4 ↓

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Rings

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

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