UCSF

ZINC63941552

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 30 No

Popular Name: (3S,4S)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-propyl]-3-methyl-2-(6-oxo-1H-pyridazin-3-yl)-3,4-d (3S,4S)-N-[3-(3,4-dihydro-2H-qui…

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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) 1.08 4.29 -57.45 2 9 -1 114 407.454 5 ↓
Mid Mid (pH 6-8) 0.63 5.98 -25.23 3 9 0 110 408.462 5 ↓

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

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