UCSF

ZINC04550644

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2005 27 No

Popular Name: 2-[[4-(carbamoylmethyl)-1-(2,6-dimethylphenyl)imino-2,4-diazaspiro[4.4]non-2-en-3-yl]sulfanyl]acetic 2-[[4-(carbamoylmethyl)-1-(2,6-d…

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) 2.51 6.98 -55.41 2 7 -1 111 387.485 6 ↓
Lo Low (pH 4.5-6) 2.51 7.41 -39.73 3 7 0 113 388.493 6 ↓

Activity (Go SEA)

Rings

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

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