UCSF

ZINC49543292

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 33 Yes

Popular Name: (7R)-1-(3-methoxyphenyl)-5-oxo-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-ca (7R)-1-(3-methoxyphenyl)-5-oxo-7…

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) 2.80 5.51 -71.32 1 9 -1 115 451.455 7 ↓
Ref Reference (pH 7) 2.61 8.13 -63.58 1 9 -1 111 451.455 7 ↓
Lo Low (pH 4.5-6) 2.80 6.59 -51.67 2 9 0 116 452.463 7 ↓

Activity (Go SEA)

Rings

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

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