UCSF

ZINC33545162

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 12th, 2009 28 No

Popular Name: (2S)-1-(2-dimethylaminoethyl)-2-(2-fluorophenyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-2H-pyrrol (2S)-1-(2-dimethylaminoethyl)-2-…

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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) 1.97 9.87 -61.1 1 6 0 78 384.407 7 ↓
Hi High (pH 8-9.5) 1.97 7.35 -50.14 0 6 -1 77 383.399 7 ↓
Lo Low (pH 4.5-6) 1.97 9.06 -46.48 2 6 1 75 385.415 7 ↓

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