UCSF

ZINC35636775

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 32 Yes

Popular Name: (4S)-1-allyl-6-[2-(4-ethylpiperazin-1-yl)-2-oxo-ethyl]-4-(p-tolyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyri (4S)-1-allyl-6-[2-(4-ethylpipera…

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) 2.48 8.17 -20.85 1 8 0 76 437.544 6 ↓
Mid Mid (pH 6-8) 2.48 10.38 -56.7 2 8 1 77 438.552 6 ↓

Activity (Go SEA)

Rings

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

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