UCSF

ZINC67739593

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 26 No

Popular Name: (3aS,6aR)-5-[(1-ethylimidazol-2-yl)methyl]-3-(3-morpholinopropyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d] (3aS,6aR)-5-[(1-ethylimidazol-2-…

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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) 0.00 4.37 -41.32 1 8 1 64 364.47 7 ↓
Hi High (pH 8-9.5) 0.00 3.8 -17.05 0 8 0 63 363.462 7 ↓
Mid Mid (pH 6-8) 0.00 6.63 -87.76 2 8 2 66 365.478 7 ↓
Lo Low (pH 4.5-6) 0.00 8.99 -191.22 3 8 3 67 366.486 7 ↓
Lo Low (pH 4.5-6) 0.00 8.53 -113.76 2 8 2 65 365.478 7 ↓

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

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