UCSF

ZINC13409527

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 29 No

Popular Name: 3-[(4Z)-4-[[(2,5-dichlorophenyl)amino]methylene]-5-oxo-1H-pyrazol-3-yl]-4-hydroxy-1-methyl-quinolin- 3-[(4Z)-4-[[(2,5-dichlorophenyl)…

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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) 3.48 3.61 -44.44 2 7 -1 106 428.255 3 ↓
Mid Mid (pH 6-8) 3.27 6.14 -45.72 2 7 -1 106 428.255 2 ↓
Mid Mid (pH 6-8) 3.41 4.57 -144.59 1 7 -2 106 427.247 3 ↓

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

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