UCSF

ZINC39849360

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 31 No

Popular Name: (2S)-1-[3-(dimethylamino)propyl]-2-(3-ethoxyphenyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-2H-pyr (2S)-1-[3-(dimethylamino)propyl]…

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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) 2.54 11.13 -75.05 1 7 0 87 424.497 10 ↓
Lo Low (pH 4.5-6) 2.54 10.24 -47.08 2 7 1 84 425.505 10 ↓

Activity (Go SEA)

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