UCSF

ZINC53446084

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 17 No

Popular Name: (3R)-1,1-dioxo-N-[2-(1,4-thiazepan-4-yl)ethyl]thiolan-3-amine (3R)-1,1-dioxo-N-[2-(1,4-thiazep…

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) 0.30 2.34 -51.95 2 4 1 51 279.451 4 ↓
Mid Mid (pH 6-8) 0.30 0.48 -11.46 1 4 0 49 278.443 4 ↓
Mid Mid (pH 6-8) 0.30 1.65 -63.19 2 4 1 54 279.451 4 ↓
Lo Low (pH 4.5-6) 0.30 3.51 -150.4 3 4 2 55 280.459 4 ↓

Activity (Go SEA)

Rings

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

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