UCSF

ZINC65509167

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 23 No

Popular Name: (3aR)-N-[2-[(4R)-4H-imidazol-4-yl]ethyl]-5-isopropyl-1,3a,4,6,7,8-hexahydropyrazolo[1,5-a][1,4]diaze (3aR)-N-[2-[(4R)-4H-imidazol-4-y…

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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) 0.55 5.04 -79.67 5 7 2 79 320.441 5 ↓
Hi High (pH 8-9.5) 0.55 2.48 -13.32 3 7 0 76 318.425 5 ↓
Mid Mid (pH 6-8) 0.55 4.57 -42.45 4 7 1 77 319.433 5 ↓

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

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