UCSF

ZINC64220364

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2011 16 Yes

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) 3.90 6.64 -6.36 1 2 0 25 211.264 1

Vendor Notes

Note Type Comments Provided By
APPEARANCE . Indofine Natural Products
M.P 260-262 C Indofine Natural Products
M.P 262-264 ° Indofine Natural Products
SOLUBILITY From Peganum harmala seeds Indofine Natural Products
APPEARANCE Off-White Solid Indofine Natural Products

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

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