UCSF

ZINC35017638

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-(1,3,4-oxadiazol-2-ylmethyl) (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) 0.13 -0.05 -18.34 2 10 0 126 428.424 5 ↓
Mid Mid (pH 6-8) 0.13 2.88 -79.1 2 10 0 130 428.424 5 ↓
Mid Mid (pH 6-8) 0.13 0.89 -62.43 1 10 -1 129 427.416 5 ↓
Mid Mid (pH 6-8) 0.13 1.93 -59.2 3 10 1 128 429.432 5 ↓
Lo Low (pH 4.5-6) 0.20 -1.26 -47.55 3 10 1 131 429.432 5 ↓
Lo Low (pH 4.5-6) 0.20 0.69 -107.07 4 10 2 133 430.44 5 ↓
Lo Low (pH 4.5-6) 0.20 2.64 -65.88 3 10 1 136 429.432 5 ↓

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

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