UCSF

ZINC65498107

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 19 No

Popular Name: 2-[(5S)-4-[(3aR,4R)-4,5,6,7-tetrahydro-3aH-imidazo[4,5-c]pyridin-4-yl]-3,5-dimethyl-1,5-dihydropyraz 2-[(5S)-4-[(3aR,4R)-4,5,6,7-tetr…

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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) 0.48 0.31 -33.63 5 6 1 77 264.353 3 ↓
Hi High (pH 8-9.5) 0.48 -0.13 -11.09 4 6 0 76 263.345 3 ↓
Lo Low (pH 4.5-6) 0.48 1.13 -43.65 5 6 1 81 264.353 3 ↓

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

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