UCSF

ZINC60120402

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2011 40 No

Popular Name: N-[[(1S)-2-[(3aR)-2-methyl-3-oxo-3a-(2-pyridylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1- N-[[(1S)-2-[(3aR)-2-methyl-3-oxo…

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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) 0.17 6.59 -77.19 5 12 1 161 550.64 9 ↓
Mid Mid (pH 6-8) 0.17 6.33 -35.42 4 12 0 159 549.632 9 ↓
Lo Low (pH 4.5-6) 0.17 6.18 -112.09 6 12 2 162 551.648 9 ↓

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

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