UCSF

ZINC58540657

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 25 Yes

Popular Name: 2-[[(3-methoxy-4-methylsulfanyl-phenyl)methyl-methyl-amino]methyl]phthalazin-1-one 2-[[(3-methoxy-4-methylsulfanyl-…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 3.08 9.83 -43.02 1 5 1 49 356.471 6 ↓
Mid Mid (pH 6-8) 3.08 7.35 -15.21 0 5 0 47 355.463 6 ↓

Activity (Go SEA)

Rings

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

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