UCSF

ZINC11914090

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2008 29 Yes

Popular Name: (4R)-5-allyl-4-(4-ethoxyphenyl)-3-(2-hydroxy-5-methyl-phenyl)-1,4-dihydropyrrolo[4,3-d]pyrazol-6-one (4R)-5-allyl-4-(4-ethoxyphenyl)-…

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Download: MOL2 SDF SMILES Flexibase

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) 4.25 7.79 -13.19 2 6 0 78 389.455 6 ↓
Hi High (pH 8-9.5) 4.25 8.61 -43.73 1 6 -1 81 388.447 6 ↓

Activity (Go SEA)

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