UCSF

ZINC35594675

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 32 No

Popular Name: 4-[(1S)-1-(4-nitrophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-oxo-N-(4-pyridylmethyl)butana 4-[(1S)-1-(4-nitrophenyl)-3,4-di…

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) 1.64 9.94 -16.13 1 9 0 113 433.468 7 ↓
Lo Low (pH 4.5-6) 1.64 10.4 -48.84 2 9 1 114 434.476 7 ↓

Activity (Go SEA)

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