UCSF

ZINC27749232

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 20th, 2009 29 Yes

Popular Name: (4S)-3-(2-hydroxy-5-methyl-phenyl)-5-(3-hydroxypropyl)-4-(3-methoxyphenyl)-1,4-dihydropyrrolo[4,3-d] (4S)-3-(2-hydroxy-5-methyl-pheny…

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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) 2.84 3.77 -14.16 3 7 0 99 393.443 6 ↓
Hi High (pH 8-9.5) 2.84 4.58 -43.68 2 7 -1 102 392.435 6 ↓

Activity (Go SEA)

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