UCSF

ZINC49236002

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2010 30 Yes

Popular Name: (3S)-3-(2,3-dihydrofuro[3,2-b]pyridin-5-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic (3S)-3-(2,3-dihydrofuro[3,2-b]py…

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) 2.36 11.81 -63.54 2 6 0 88 409.53 10 ↓
Hi High (pH 8-9.5) 2.36 11.44 -54.38 1 6 -1 87 408.522 10 ↓
Lo Low (pH 4.5-6) 2.36 10.54 -65.36 4 6 2 87 411.546 10 ↓
Lo Low (pH 4.5-6) 2.36 9.83 -37.32 3 6 1 86 410.538 10 ↓
Lo Low (pH 4.5-6) 2.36 12.53 -57.22 3 6 1 90 410.538 10 ↓

Activity (Go SEA)

Rings

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

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