UCSF

ZINC65525700

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Substance Information

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

Popular Name: (3aR,4R)-4-[(3S)-3-methyl-2-propyl-1,3-dihydropyrazol-4-yl]-4,5,6,7-tetrahydro-3aH-imidazo[4,5-c]pyr (3aR,4R)-4-[(3S)-3-methyl-2-prop…

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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) 1.16 3.23 -32.18 4 5 1 57 248.354 3 ↓
Hi High (pH 8-9.5) 1.16 2.77 -7.06 3 5 0 56 247.346 3 ↓
Lo Low (pH 4.5-6) 1.16 4.53 -98.83 5 5 2 62 249.362 3 ↓

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

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