UCSF

ZINC62941914

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Substance Information

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

Popular Name: (2R,4S)-2-[[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methyl]-4-ethyl-cyclohe (2R,4S)-2-[[(9aR)-1,3,4,5,7,8,9,…

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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) 2.54 9.45 -29.73 1 3 1 25 279.448 3 ↓
Hi High (pH 8-9.5) 2.54 7.88 -5.73 0 3 0 24 278.44 3 ↓
Lo Low (pH 4.5-6) 2.54 10.91 -99.55 2 3 2 26 280.456 3 ↓

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

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