UCSF

ZINC62941101

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Substance Information

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

Popular Name: (9aR)-2-piperazin-1-ylsulfonyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine (9aR)-2-piperazin-1-ylsulfonyl-1…

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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) -0.43 3.28 -98.28 3 6 2 62 290.433 2 ↓
Hi High (pH 8-9.5) -0.43 0.17 -7.01 1 6 0 56 288.417 2 ↓
Mid Mid (pH 6-8) -0.43 1.76 -42.66 2 6 1 57 289.425 2 ↓

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

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