UCSF

ZINC02525667

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 18 No

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) 3.65 3.25 -10.6 0 3 0 43 240.258 4

Vendor Notes

Note Type Comments Provided By
melting_point 4.500000000000000e+001 - 4.800000000000000e+001 KeyOrganics
melting_point 45 - 48 KeyOrganics

Activity (Go SEA)

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