UCSF

ZINC39500827

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2010 27 No

Popular Name: N-[[(4R)-3-phenyl-4H-pyrazol-4-yl]methyl]-4-[(5R)-2,3,5-trimethyl-1,5-dihydropyrazol-4-yl]pyrimidin- N-[[(4R)-3-phenyl-4H-pyrazol-4-y…

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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) 3.15 8.82 -14.33 2 7 0 78 361.453 5 ↓
Mid Mid (pH 6-8) 3.15 9.21 -42.9 3 7 1 79 362.461 5 ↓
Lo Low (pH 4.5-6) 3.15 8.9 -84.12 3 7 0 79 362.461 5 ↓

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

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