UCSF

ZINC35017643

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-[(1-methyltetrazol-5-yl)meth (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) 0.11 3.67 -21.12 2 11 0 131 442.455 5 ↓
Mid Mid (pH 6-8) 0.11 4.6 -64.6 1 11 -1 134 441.447 5 ↓
Lo Low (pH 4.5-6) 0.18 4.38 -117.7 4 11 2 137 444.471 5 ↓
Lo Low (pH 4.5-6) 0.18 2.46 -52.38 3 11 1 136 443.463 5 ↓
Lo Low (pH 4.5-6) 0.18 6.31 -75.11 3 11 1 140 443.463 5 ↓
Lo Low (pH 4.5-6) 0.11 5.63 -67.43 3 11 1 132 443.463 5 ↓

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

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