UCSF

ZINC38140838

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2010 12 Yes

Popular Name: IPROHEPTINE IPROHEPTINE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 13946-02-6 , 4013-92-7

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) 3.53 6.96 -32 2 1 1 17 172.336 6 ↓

Vendor Notes

Note Type Comments Provided By
Therapy vasoconstrictor, antihistamine, nasal decongestant SMDC Pharmakon

Activity (Go SEA)

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

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