UCSF

ZINC11914948

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2008 33 Yes

Popular Name: (4R)-4-(4-ethoxyphenyl)-3-(2-hydroxy-5-methyl-phenyl)-5-(3-pyridylmethyl)-1,4-dihydropyrrolo[4,3-d]p (4R)-4-(4-ethoxyphenyl)-3-(2-hyd…

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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) 3.76 8.07 -16.71 2 7 0 91 440.503 6 ↓
Lo Low (pH 4.5-6) 3.76 -2.93 -40.96 3 7 1 93 441.511 6 ↓

Activity (Go SEA)

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