UCSF

ZINC62602335

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 37 No

Popular Name: 3-[(3R)-2-acetyl-3-[4-(diethylamino)phenyl]-3,4-dihydropyrazol-5-yl]-6-chloro-4-phenyl-1H-quinolin-2 3-[(3R)-2-acetyl-3-[4-(diethylam…

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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) 5.61 14.65 -56.78 2 6 0 70 514.049 6 ↓
Hi High (pH 8-9.5) 6.51 12.3 -49.47 0 6 -1 72 512.033 6 ↓
Mid Mid (pH 6-8) 5.61 14.56 -14.88 1 6 0 69 513.041 6 ↓

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

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