UCSF

ZINC59614349

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 39 No

Popular Name: [(3S)-1-[3-[(2-chlorophenyl)methyl]-5-(1-isoquinolylmethyl)-4-oxo-pyrazolo[1,5-d][1,2,4]triazin-2-yl [(3S)-1-[3-[(2-chlorophenyl)meth…

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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) 5.47 12.73 -58.63 1 10 -1 120 543.007 6 ↓
Mid Mid (pH 6-8) 5.47 13.28 -67.12 2 10 0 122 544.015 6 ↓
Lo Low (pH 4.5-6) 5.47 11.34 -36.48 3 10 1 119 545.023 6 ↓

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

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