UCSF

ZINC04002873

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.09 2.48 -48.23 1 3 1 21 362.884 5
Mid Mid (pH 6-8) 5.09 2.67 -101.21 2 3 2 22 363.892 5

Vendor Notes

Note Type Comments Provided By
melting_point 81 - 85 KeyOrganics

Activity (Go SEA)

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