UCSF

ZINC00001905

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 10 Yes

Popular Name: PENTYLENETETRAZOL PENTYLENETETRAZOL

Find On: PubMed — Wikipedia — Google

CAS Number: 54-95-5

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) 0.51 2.96 -10.94 0 4 0 44 138.174 0 ↓

Vendor Notes

Note Type Comments Provided By
Molecular_Solubility 1.296 Bitter DB
BP 194 / 12 TCI
Boiling_Point 194?/12mm Alfa-Aesar
Boiling_Point 194°/12mm Alfa-Aesar
Melting_Point 59-61? Alfa-Aesar
Melting_Point 59-61° Alfa-Aesar
MP 60 TCI
Therapy analeptic, circulation stimulant SMDC Pharmakon

Activity (Go SEA)

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

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