UCSF

ZINC35017604

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 31 No

Popular Name: 2-[(2Z,9R)-2-[[(4-fluorophenyl)methylamino]-hydroxy-methylene]-9-methyl-3,4-dioxo-7,9-dihydro-6H-pyr 2-[(2Z,9R)-2-[[(4-fluorophenyl)m…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -0.92 1.39 -16.07 2 10 0 128 431.424 4 ↓
Mid Mid (pH 6-8) -0.92 2.01 -50.26 1 10 -1 131 430.416 4 ↓
Lo Low (pH 4.5-6) -0.92 3.1 -46.88 3 10 1 130 432.432 4 ↓

Activity (Go SEA)

Rings

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