UCSF

ZINC39500765

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2010 24 No

Popular Name: (3aS)-3-(2-furyl)-5-(2-isopropyl-6-methyl-pyrimidin-4-yl)-3a,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (3aS)-3-(2-furyl)-5-(2-isopropyl…

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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) 2.89 8.24 -11.85 0 6 0 67 323.4 3 ↓
Mid Mid (pH 6-8) 2.89 8.72 -37.4 1 6 1 68 324.408 3 ↓

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

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