UCSF

ZINC12960704

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 35 No

Other Names:

MFCD06662491

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) 6.14 15.14 -15.87 1 6 0 69 531.44 10

Vendor Notes

Note Type Comments Provided By
melting_point 125 - 126 KeyOrganics

Activity (Go SEA)

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