UCSF

ZINC04050991

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 24 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) 4.45 8.83 -23.43 1 4 1 36 321.4 3

Vendor Notes

Note Type Comments Provided By
melting_point 172 - 173 KeyOrganics

Activity (Go SEA)

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