UCSF

ZINC20218960

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 27 No

Popular Name: (5S)-1-(2-dimethylaminoethyl)-4-[(E)-3-(2-furyl)prop-2-enoyl]-3-hydroxy-5-(3-pyridyl)-5H-pyrrol-2-on (5S)-1-(2-dimethylaminoethyl)-4-…

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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) 0.62 7.76 -72.28 1 7 0 91 367.405 7 ↓
Hi High (pH 8-9.5) 0.62 5.89 -61.69 0 7 -1 90 366.397 7 ↓
Hi High (pH 8-9.5) 0.62 5.57 -43.01 0 7 -1 90 366.397 6 ↓
Lo Low (pH 4.5-6) 0.62 6.88 -47.9 2 7 1 88 368.413 7 ↓

Activity (Go SEA)

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