UCSF

ZINC39849348

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 29 No

Popular Name: (2S)-1-[3-(dimethylamino)propyl]-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-2-(p-tolyl)-2H-pyrrol-5-o (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) 2.58 11.56 -77.14 1 6 0 78 394.471 8 ↓
Lo Low (pH 4.5-6) 2.58 10.68 -47.93 2 6 1 75 395.479 8 ↓

Activity (Go SEA)

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