UCSF

ZINC58343143

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 24 Yes

Popular Name: N-[[(4R)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methyl]-1-[(6R)-2-methyl-4,5,6,7-tetrahydropyrazolo[1 N-[[(4R)-1-methyl-3,4-dihydro-2H…

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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) 2.04 8.07 -106.49 4 5 2 51 327.476 4 ↓
Mid Mid (pH 6-8) 2.04 7.95 -61.59 3 5 1 50 326.468 4 ↓
Lo Low (pH 4.5-6) 2.04 8.71 -174.25 5 5 3 52 328.484 4 ↓

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

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