UCSF

ZINC27040013

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 27 Yes

Popular Name: (2R)-N-(1-ethylpropyl)-2-[4-[2-[(4-fluorophenyl)amino]-2-oxo-ethyl]piperazin-1-yl]propanamide (2R)-N-(1-ethylpropyl)-2-[4-[2-[…

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) 2.75 6.5 -42.25 3 6 1 66 379.5 8 ↓
Hi High (pH 8-9.5) 2.75 6.52 -45.87 3 6 1 66 379.5 8 ↓
Hi High (pH 8-9.5) 2.75 4.28 -14.81 2 6 0 65 378.492 8 ↓
Lo Low (pH 4.5-6) 2.75 8.75 -121.97 4 6 2 67 380.508 8 ↓

Activity (Go SEA)

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