UCSF

ZINC11914061

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2008 28 Yes

Popular Name: (4S)-5-(2-hydroxyethyl)-3-(2-hydroxy-5-methyl-phenyl)-4-(4-methoxyphenyl)-1,4-dihydropyrrolo[4,3-d]p (4S)-5-(2-hydroxyethyl)-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) 2.59 3.46 -12.61 3 7 0 99 379.416 5 ↓
Hi High (pH 8-9.5) 2.59 4.14 -43.88 2 7 -1 102 378.408 5 ↓

Activity (Go SEA)

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