UCSF

ZINC62940337

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 20 Yes

Popular Name: [(3R)-3-[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]quinuclidin-3-yl]methanami [(3R)-3-[(9aS)-1,3,4,5,7,8,9,9a-…

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Download: MOL2 SDF SMILES Flexibase

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) 0.42 2.76 -97.7 4 4 2 39 280.46 2 ↓
Hi High (pH 8-9.5) 0.42 1.08 -44.65 3 4 1 37 279.452 2 ↓
Mid Mid (pH 6-8) 0.42 4.7 -82.69 4 4 2 38 280.46 2 ↓
Mid Mid (pH 6-8) 0.42 5.18 -183.02 5 4 3 40 281.468 2 ↓

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Rings

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

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