UCSF

ZINC04097774

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 39 No

CAS Number: 28831-65-4

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) 1.57 3.28 -129.7 5 12 -2 217 536.445 9

Vendor Notes

Note Type Comments Provided By
Target Cytochrome P450 19A1(P11511) Herbal Ingredients Targets

Activity (Go SEA)

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