UCSF

ZINC05765036

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2006 15 Yes

Popular Name: HARMOL HARMOL

Find On: PubMed — Wikipedia — Google

CAS Numbers: 149022-16-2 , 40580-83-4 , 487-03-6 , [149022-16-2] , [40580-83-4] , [487-03-6]

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) 2.09 2.68 -7.61 2 3 0 49 198.225 0 ↓
Ref Reference (pH 7) 2.09 3.1 -33.34 3 3 1 50 199.233 0 ↓
Hi High (pH 8-9.5) 2.09 3.44 -44.12 1 3 -1 52 197.217 0 ↓
Hi High (pH 8-9.5) 1.89 4.11 -54.09 2 3 0 49 198.225 0 ↓
Mid Mid (pH 6-8) 1.89 3.3 -11.66 3 3 0 52 199.233 0 ↓

Vendor Notes

Note Type Comments Provided By
M.P 231 C (d) Indofine Natural Products
M.P 231°C Indofine Natural Products
M.P 321 C Indofine Natural Products
SOLUBILITY From Peganum harmala seeds Indofine Natural Products
Therapy MAO inhibitor SMDC MicroSource
M.P No definite mp Indofine Natural Products

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

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