UCSF

ZINC35017624

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-[(2-methylpyrazol-3-yl)methy (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) 1.31 5.16 -16.16 2 9 0 105 440.479 5 ↓
Mid Mid (pH 6-8) 1.31 8.01 -78.62 2 9 0 109 440.479 5 ↓
Mid Mid (pH 6-8) 1.31 6.09 -60.02 1 9 -1 108 439.471 5 ↓
Mid Mid (pH 6-8) 1.31 7.07 -59.93 3 9 1 106 441.487 5 ↓
Lo Low (pH 4.5-6) 1.38 3.96 -45.93 3 9 1 110 441.487 5 ↓
Lo Low (pH 4.5-6) 1.38 5.86 -109.14 4 9 2 112 442.495 5 ↓
Lo Low (pH 4.5-6) 1.38 7.77 -66.64 3 9 1 114 441.487 5 ↓

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

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