UCSF

ZINC20263884

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 32 No

Popular Name: (5S)-1-(3-dimethylaminopropyl)-5-(4-ethoxy-3-methoxy-phenyl)-3-hydroxy-4-(5-methylfuran-2-carbonyl)- (5S)-1-(3-dimethylaminopropyl)-5…

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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) 2.18 10.28 -85.69 1 8 0 96 442.512 10 ↓
Lo Low (pH 4.5-6) 2.18 9.33 -57.93 2 8 1 94 443.52 10 ↓

Activity (Go SEA)

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