UCSF

ZINC39849356

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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]-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-2-(3-nitrophenyl)-2H-pyrr (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) 2.06 11.18 -74.77 1 9 0 124 425.441 9 ↓
Lo Low (pH 4.5-6) 2.06 10.3 -52.69 2 9 1 121 426.449 9 ↓

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