UCSF

ZINC06812908

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 31 No

Popular Name: 3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-5-(4-pyridinyl)-1-(3-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one 3-hydroxy-4-(4-methoxy-3-methylb…

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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) 1.68 7.12 -58.66 0 7 -1 95 414.441 6 ↓
Mid Mid (pH 6-8) 1.68 7.02 -13.08 1 7 0 93 415.449 6 ↓
Mid Mid (pH 6-8) 1.10 7.41 -13.84 0 7 0 89 415.449 6 ↓
Lo Low (pH 4.5-6) 1.68 7.59 -99.17 3 7 2 95 417.465 6 ↓
Lo Low (pH 4.5-6) 1.68 7.31 -45.07 2 7 1 94 416.457 6 ↓
Lo Low (pH 4.5-6) 1.68 7.3 -41.23 2 7 1 94 416.457 6 ↓
Lo Low (pH 4.5-6) 1.10 7.69 -42.89 1 7 1 91 416.457 6 ↓
Lo Low (pH 4.5-6) 1.10 7.7 -53.14 1 7 1 91 416.457 6 ↓
Lo Low (pH 4.5-6) 1.10 7.98 -108.32 2 7 2 92 417.465 6 ↓

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

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