UCSF

ZINC69232445

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 21 Yes

Popular Name: (2R)-3-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-2-cyclopropyl-2-(ethylamin (2R)-3-[(9aR)-1,3,4,5,7,8,9,9a-o…

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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) -0.75 7.88 -61.2 3 5 1 64 296.435 6 ↓
Hi High (pH 8-9.5) -0.75 7.83 -37.1 2 5 0 60 295.427 6 ↓
Hi High (pH 8-9.5) -0.75 6.33 -30.43 2 5 0 63 295.427 6 ↓
Mid Mid (pH 6-8) -0.75 7.9 -62.92 3 5 1 64 296.435 6 ↓
Lo Low (pH 4.5-6) -0.75 9.42 -135.35 4 5 2 66 297.443 6 ↓

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

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