UCSF

ZINC61702574

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2011 20 Yes

Popular Name: (7R,8R)-7-(benzenesulfonyl)-1,4-dioxaspiro[4.5]decan-8-amine (7R,8R)-7-(benzenesulfonyl)-1,4-…

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) 0.21 1.81 -46.86 3 5 1 80 298.384 2 ↓
Mid Mid (pH 6-8) 0.21 2.01 -11.22 2 5 0 79 297.376 2 ↓

Activity (Go SEA)

Rings

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

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