UCSF

ZINC69061812

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 27 No

Popular Name: 5-[(5S)-5-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-4,5-dihydro-1H-pyrazol-3-yl]hexahydropyrimidine- 5-[(5S)-5-(5-chloro-3-methyl-1-p…

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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) 0.69 2.66 -12.34 4 9 0 125 386.799 2 ↓
Mid Mid (pH 6-8) 1.15 0.1 -48.23 3 9 -1 128 385.791 2 ↓
Mid Mid (pH 6-8) 1.15 0.13 -47.92 3 9 -1 128 385.791 2 ↓

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

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