UCSF

ZINC01386254

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 23 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) 5.49 -1.89 -5.9 0 3 0 33 367.663 3

Vendor Notes

Note Type Comments Provided By
melting_point 149 - 151 KeyOrganics

Activity (Go SEA)

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