UCSF

ZINC20219397

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 34 No

Popular Name: (5R)-1-(3-diethylaminopropyl)-3-hydroxy-4-(7-methoxybenzofuran-2-carbonyl)-5-(4-pyridyl)-5H-pyrrol-2 (5R)-1-(3-diethylaminopropyl)-3-…

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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) 2.71 9.85 -72.47 1 8 0 100 463.534 10 ↓
Lo Low (pH 4.5-6) 2.71 9.03 -48.26 2 8 1 97 464.542 10 ↓
Lo Low (pH 4.5-6) 2.71 9.47 -96.74 3 8 2 99 465.55 10 ↓
Lo Low (pH 4.5-6) 2.71 10.28 -100.72 2 8 1 101 464.542 10 ↓

Activity (Go SEA)

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