UCSF

ZINC34919679

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 33 No

Popular Name: (2R)-1-(2-diethylaminoethyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-pentoxyphenyl)-2H-pyrrol-5-one (2R)-1-(2-diethylaminoethyl)-3-(…

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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) 4.42 11.5 -66.84 1 7 0 87 454.567 13 ↓
Lo Low (pH 4.5-6) 4.42 10.74 -44.1 2 7 1 84 455.575 13 ↓

Activity (Go SEA)

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