UCSF

ZINC62986998

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 14 Yes

Popular Name: N-cyclopropyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]thiazol-2-amine N-cyclopropyl-5,6,7,8-tetrahydro…

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) 2.96 6.57 -4.99 1 2 0 25 208.33 2 ↓
Mid Mid (pH 6-8) 2.96 6.87 -22.33 2 2 1 26 209.338 2 ↓

Activity (Go SEA)

Rings

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

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