UCSF

ZINC12063464

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2008 30 Yes

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

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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) 4.49 8.79 -10.66 2 6 0 78 401.466 7 ↓
Hi High (pH 8-9.5) 4.49 9.6 -48.64 1 6 -1 81 400.458 7 ↓

Activity (Go SEA)

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