UCSF

ZINC01393467

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 23 Yes

Other Names:

MFCD00139746

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) 4.56 9.12 -6.13 0 4 0 59 321.767 3

Vendor Notes

Note Type Comments Provided By
melting_point 169 - 171 KeyOrganics

Activity (Go SEA)

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