UCSF

ZINC35017641

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 32 Yes

Popular Name: (2Z)-2-[[(4-fluorophenyl)methylamino]-hydroxy-methylene]-9,9-dimethyl-8-[(5-methyl-1,3,4-oxadiazol-2 (2Z)-2-[[(4-fluorophenyl)methyla…

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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) -0.34 0.71 -17.84 2 10 0 126 442.451 5 ↓
Mid Mid (pH 6-8) -0.34 3.63 -77.12 2 10 0 130 442.451 5 ↓
Mid Mid (pH 6-8) -0.34 1.65 -61.76 1 10 -1 129 441.443 5 ↓
Mid Mid (pH 6-8) -0.34 2.69 -57.6 3 10 1 128 443.459 5 ↓
Lo Low (pH 4.5-6) -0.27 -0.53 -47.36 3 10 1 131 443.459 5 ↓
Lo Low (pH 4.5-6) -0.27 1.45 -105.97 4 10 2 133 444.467 5 ↓
Lo Low (pH 4.5-6) -0.27 3.38 -64.5 3 10 1 136 443.459 5 ↓

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

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