UCSF

ZINC54931276

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 16 No

Popular Name: 6,6-dioxo-N-propyl-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-amine 6,6-dioxo-N-propyl-7,8-dihydro-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) 1.06 1.44 -14.84 1 5 0 72 241.316 3 ↓
Lo Low (pH 4.5-6) 1.06 1.6 -39.57 2 5 1 73 242.324 3 ↓
Lo Low (pH 4.5-6) 1.06 1.55 -40.44 2 5 1 73 242.324 3 ↓

Activity (Go SEA)

Rings

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

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