UCSF

ZINC01397914

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 17 No

Other Names:

MFCD02720520

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) 2.18 4.88 -11.99 0 4 0 46 230.267 2

Vendor Notes

Note Type Comments Provided By
melting_point 173 - 176 KeyOrganics

Activity (Go SEA)

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