UCSF

ZINC36153323

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 23 No

Popular Name: 3-[[(3R)-2-oxospiro[indoline-3,2'-thiazolidine]-1-yl]methyl]benzonitrile 3-[[(3R)-2-oxospiro[indoline-3,2…

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) 2.49 7.66 -14.83 1 4 0 56 321.405 2 ↓
Lo Low (pH 4.5-6) 2.49 8.92 -44.02 2 4 1 61 322.413 2 ↓

Activity (Go SEA)

Rings

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