UCSF

ZINC36118855

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 34 Yes

Popular Name: N-[4-(diethylamino)-2-methyl-phenyl]-4-[[(3,4-dioxo-2-pyrrolidin-1-yl-cyclobuten-1-yl)amino]methyl]c N-[4-(diethylamino)-2-methyl-phe…

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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) 0.90 7.52 -66.75 4 7 0 89 468.642 7 ↓
Hi High (pH 8-9.5) 0.90 7.74 -29.07 2 7 0 91 466.626 7 ↓
Hi High (pH 8-9.5) 0.90 8.2 -21.99 2 7 0 91 466.626 7 ↓
Mid Mid (pH 6-8) 0.90 6.95 -41.79 3 7 1 88 467.634 7 ↓
Mid Mid (pH 6-8) 0.90 7.41 -34.5 3 7 1 88 467.634 7 ↓

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

No pre-computed analogs available. Try a structural similarity search.