UCSF

ZINC00058176

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 Yes

Popular Name: HARMALOL HARMALOL

Find On: PubMed — Wikipedia — Google

CAS Numbers: 525-57-5 , 6028-00-8 , 6028-07-5 , [525-57-5] , [6028-00-8]

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) 2.15 1.46 -7.2 2 3 0 48 200.241 0 ↓
Ref Reference (pH 7) 1.77 3.41 -48.19 2 3 0 45 200.241 0 ↓
Ref Reference (pH 7) 1.97 2.48 -31.67 3 3 1 46 201.249 0 ↓
Lo Low (pH 4.5-6) 2.15 2.43 -34.18 3 3 1 50 201.249 0 ↓

Vendor Notes

Note Type Comments Provided By
M.P 211-212 C Indofine Natural Products
M.P 211-212°C Indofine Natural Products
M.P 260 C (d) Indofine Natural Products
M.P 265-268 °C Indofine Natural Products
Therapy anthelmintic, narcotic agent SMDC MicroSource
SOLUBILITY From Peganum harmala seeds Indofine Natural Products

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

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