UCSF

ZINC52905599

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 28 Yes

Popular Name: (2S)-N-(1-ethylpropyl)-2-[4-[(1R)-2-(3-fluoroanilino)-1-methyl-2-oxo-ethyl]piperazin-1-yl]propanamid (2S)-N-(1-ethylpropyl)-2-[4-[(1R…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.69 4.62 -13.43 2 6 0 65 392.519 8 ↓
Lo Low (pH 4.5-6) 2.69 6.86 -41.66 3 6 1 66 393.527 8 ↓

Activity (Go SEA)

Rings

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

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