UCSF

ZINC19995949

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 23 Yes

Popular Name: 8-methyl-3-(2-morpholinoethyl)-5H-pyrimido[5,6-b]indol-4-one 8-methyl-3-(2-morpholinoethyl)-5…

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) 2.62 5.23 -13.78 1 6 0 63 312.373 3 ↓
Mid Mid (pH 6-8) 2.62 7.5 -50.37 2 6 1 64 313.381 3 ↓

Activity (Go SEA)

Rings

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

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