UCSF

ZINC19972611

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 34 No

Popular Name: 1-[2-(diethylamino)ethyl]-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-4-(4-methoxy-3-methylbenzoyl)-1,5-dihydro-2H-pyrrol-2-one 1-[2-(diethylamino)ethyl]-3-hydr…

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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) 2.93 7.89 -71.36 2 8 0 104 468.55 10 ↓
Hi High (pH 8-9.5) 2.93 5.61 -60.94 1 8 -1 102 467.542 10 ↓

Activity (Go SEA)

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