UCSF

ZINC00058188

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 22 No

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) 4.36 7.13 -12.93 0 4 0 63 293.298 4
Mid Mid (pH 6-8) 3.16 3.8 -22.24 0 4 0 57 294.306 5
Mid Mid (pH 6-8) 4.36 9.56 -59.86 0 4 -1 63 293.298 4
Mid Mid (pH 6-8) 4.36 9.39 -60.29 0 4 -1 63 293.298 4

Vendor Notes

Note Type Comments Provided By
M.P 126-130 °C Indofine Natural Products
M.P 128-129 C Indofine Natural Products
SOLUBILITY From Pongamia glabra fruits Indofine Natural Products

Activity (Go SEA)

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

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