UCSF

ZINC35017634

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-methyltriazol-4-yl)methy (2Z)-2-[[(4-fluorophenyl)methyla…

Find On: PubMed — Wikipedia — Google

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) 0.78 4.34 -18.34 2 10 0 118 441.467 5 ↓
Mid Mid (pH 6-8) 0.78 7.28 -79.03 2 10 0 122 441.467 5 ↓
Mid Mid (pH 6-8) 0.78 5.28 -64.13 1 10 -1 121 440.459 5 ↓
Mid Mid (pH 6-8) 0.78 6.34 -57.58 3 10 1 119 442.475 5 ↓
Lo Low (pH 4.5-6) 0.85 3.13 -47.42 3 10 1 123 442.475 5 ↓
Lo Low (pH 4.5-6) 0.85 5.09 -105.5 4 10 2 124 443.483 5 ↓
Lo Low (pH 4.5-6) 0.85 7.01 -65.75 3 10 1 127 442.475 5 ↓

Activity (Go SEA)

Rings

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

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