UCSF

ZINC04005008

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 33 Yes

Popular Name: 3-[(4-methoxyphenyl)methyl]-2,4-dioxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-quinazoline-7-carboxamid 3-[(4-methoxyphenyl)methyl]-2,4-…

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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) 1.54 7.28 -19.5 2 9 0 114 450.495 8 ↓
Mid Mid (pH 6-8) 2.07 4.2 -60.87 2 9 0 122 450.495 8 ↓
Mid Mid (pH 6-8) 2.00 5.47 -53.27 1 9 -1 117 449.487 8 ↓
Mid Mid (pH 6-8) 1.61 4.63 -17.69 2 9 0 117 450.495 8 ↓
Mid Mid (pH 6-8) 2.07 2.83 -48.34 1 9 -1 120 449.487 8 ↓

Activity (Go SEA)

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