UCSF

ZINC35017626

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 31 Yes

Popular Name: (2Z)-2-[[(4-fluorophenyl)methylamino]-hydroxy-methylene]-9,9-dimethyl-8-(1H-pyrazol-4-ylmethyl)-6,7- (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) 0.93 4.13 -15.78 3 9 0 116 426.452 5 ↓
Mid Mid (pH 6-8) 0.93 7.05 -79.41 3 9 0 120 426.452 5 ↓
Mid Mid (pH 6-8) 0.93 5.06 -60.91 2 9 -1 119 425.444 5 ↓
Mid Mid (pH 6-8) 0.93 6.1 -58.56 4 9 1 117 427.46 5 ↓
Lo Low (pH 4.5-6) 1.00 4.83 -105.45 5 9 2 122 428.468 5 ↓
Lo Low (pH 4.5-6) 1.00 6.78 -65.12 4 9 1 125 427.46 5 ↓
Lo Low (pH 4.5-6) 1.00 2.91 -43.88 4 9 1 121 427.46 5 ↓

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

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