UCSF

ZINC62941973

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Substance Information

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

Popular Name: N-[(2R)-2-[[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methyl]-2-methyl-butyl] N-[(2R)-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 8.92 -83.85 3 3 2 24 281.488 6 ↓
Hi High (pH 8-9.5) 2.54 7.34 -32.95 2 3 1 23 280.48 6 ↓
Lo Low (pH 4.5-6) 2.54 10.24 -191.56 4 3 3 25 282.496 6 ↓

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

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