UCSF

ZINC19321450

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2008 24 Yes

Popular Name: Hexetidine Hexetidine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 141-94-6 , [141-94-6]

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) 6.45 9.51 -36.18 3 3 1 34 340.62 12 ↓
Hi High (pH 8-9.5) 6.45 8.5 -0.43 2 3 0 32 339.612 12 ↓
Mid Mid (pH 6-8) 6.45 11.2 -117.61 4 3 2 35 341.628 12 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 160?/0.4mm Alfa-Aesar
Boiling_Point 160°/0.4mm Alfa-Aesar
Therapy antifungal SMDC Pharmakon

Activity (Go SEA)

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

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