UCSF

ZINC48961618

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 20 No

Popular Name: (4aS,8S,8aR)-8-methyl-1-[(5-nitropyrazol-1-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (4aS,8S,8aR)-8-methyl-1-[(5-nitr…

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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) 2.90 10.19 -30.17 1 6 1 68 279.364 3 ↓
Hi High (pH 8-9.5) 2.90 8.37 -5.04 0 6 0 67 278.356 3 ↓

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

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