UCSF

ZINC35017695

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 33 No

Popular Name: N-[(2Z,10R)-2-[[(4-fluorophenyl)methylamino]-hydroxy-methylene]-8-methyl-3,4-dioxo-6,7,9,10-tetrahyd N-[(2Z,10R)-2-[[(4-fluorophenyl)…

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) -1.51 2.01 -77.61 3 11 0 144 460.466 5 ↓
Hi High (pH 8-9.5) -1.51 -0.5 -54.52 2 11 -1 143 459.458 5 ↓
Mid Mid (pH 6-8) -1.51 1.4 -59.65 4 11 1 142 461.474 5 ↓
Mid Mid (pH 6-8) -1.51 4.96 -65.65 4 11 1 146 461.474 5 ↓
Lo Low (pH 4.5-6) -1.51 2.83 -103.64 5 11 2 143 462.482 5 ↓

Activity (Go SEA)

Rings

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