UCSF

ZINC06322029

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2006 35 No

Other Names:

MFCD00794723

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 4.83 -2.68 -18.46 1 9 0 130 556.811 9

Vendor Notes

Note Type Comments Provided By
melting_point 226 - 228 KeyOrganics

Activity (Go SEA)

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