UCSF

ZINC13681952

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 32 Yes

Popular Name: N-benzyl-2-[(5-cyano-3,3-dimethyl-8-piperazin-1-yl-1,4-dihydropyrano[4,5-d]pyridin-6-yl)sulfanyl]ace N-benzyl-2-[(5-cyano-3,3-dimethy…

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) 2.25 8.01 -63.53 3 7 1 95 452.604 6 ↓
Hi High (pH 8-9.5) 2.25 6.6 -11.97 2 7 0 90 451.596 6 ↓

Activity (Go SEA)

Rings

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

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