UCSF

ZINC67514813

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2011 21 Yes

Popular Name: [(2S)-7-pyrazin-2-yl-1,2-dihydrobenzo[e]benzofuran-2-yl]methanamine [(2S)-7-pyrazin-2-yl-1,2-dihydro…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

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) 1.88 4.74 -52.06 3 4 1 63 278.335 2 ↓
Hi High (pH 8-9.5) 1.88 4.32 -9.91 2 4 0 61 277.327 2 ↓

Activity (Go SEA)

Rings

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

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