UCSF

ZINC38596276

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 26 No

Popular Name: 1-[3-[[(3S)-3,5-dimethyl-4-nitro-1,3-dihydropyrazol-2-yl]methyl]-4-methoxy-phenyl]-N-[(3R)-3H-1,2,4- 1-[3-[[(3S)-3,5-dimethyl-4-nitro…

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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) 1.95 4.12 -50.33 2 10 1 121 358.382 6 ↓
Mid Mid (pH 6-8) 1.95 3.04 -15.18 1 10 0 120 357.374 6 ↓

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

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