UCSF

ZINC54931186

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 13 Yes

Popular Name: N-ethyl-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-amine N-ethyl-7,8-dihydro-5H-pyrano[4,…

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) 1.14 2.2 -8.48 1 4 0 47 179.223 2 ↓
Mid Mid (pH 6-8) 1.14 2.37 -26.89 2 4 1 48 180.231 2 ↓
Mid Mid (pH 6-8) 1.14 2.31 -26.79 2 4 1 48 180.231 2 ↓

Activity (Go SEA)

Rings

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

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