UCSF

ZINC49320263

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 20 No

Popular Name: 3-[[[(1R)-indan-1-yl]-prop-2-ynyl-amino]methyl]oxazolidine-2-thione 3-[[[(1R)-indan-1-yl]-prop-2-yny…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.62 6.27 -11.51 0 3 0 16 286.4 4 ↓
Lo Low (pH 4.5-6) 2.62 9.08 -39.21 1 3 1 17 287.408 4 ↓

Activity (Go SEA)

Rings

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

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