UCSF

ZINC39273080

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 36 No

Popular Name: 4-[(S)-[(3R)-3-hydroxy-5-methyl-2-(m-tolyl)-1,3-dihydropyrazol-4-yl]-(2-hydroxyphenyl)methyl]-5-meth 4-[(S)-[(3R)-3-hydroxy-5-methyl-…

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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) 5.46 8.66 -15.59 4 7 0 94 482.584 5 ↓
Mid Mid (pH 6-8) 5.91 8.81 -54 3 7 -1 97 481.576 5 ↓
Lo Low (pH 4.5-6) 5.91 8.01 -41.59 5 7 1 98 483.592 5 ↓

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

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