UCSF

ZINC62941939

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 19 No

Popular Name: 4-[[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methyl]tetrahydropyran-4-carbal 4-[[(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) 1.17 6.12 -32.88 1 4 1 34 267.393 3 ↓
Hi High (pH 8-9.5) 1.17 4.56 -5.92 0 4 0 33 266.385 3 ↓
Lo Low (pH 4.5-6) 1.17 7.54 -107.87 2 4 2 35 268.401 3 ↓

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

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