UCSF

ZINC52816091

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2010 16 Yes

Popular Name: N-[[(8R)-8-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methyl]pyridazin-3-amine N-[[(8R)-8-bicyclo[4.2.0]octa-1(…

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) 1.78 6.46 -9.7 1 3 0 38 211.268 3 ↓
Mid Mid (pH 6-8) 1.78 6.64 -32.42 2 3 1 39 212.276 3 ↓
Mid Mid (pH 6-8) 1.78 6.63 -34.59 2 3 1 39 212.276 3 ↓

Activity (Go SEA)

Rings

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

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