UCSF

ZINC62943204

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Substance Information

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

Popular Name: (9aR)-2-[[(3R)-3-piperidyl]sulfonyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine (9aR)-2-[[(3R)-3-piperidyl]sulfo…

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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) 0.09 4.04 -98.03 3 5 2 58 289.445 2 ↓
Hi High (pH 8-9.5) 0.09 1.69 -55.74 2 5 1 57 288.437 2 ↓
Hi High (pH 8-9.5) 0.09 0.35 -10.71 1 5 0 53 287.429 2 ↓

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

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