UCSF

ZINC08857052

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 32 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) 8.44 2.74 -7.47 0 2 0 17 440.656 8
Mid Mid (pH 6-8) 8.44 2.92 -25.22 1 2 1 19 441.664 8

Vendor Notes

Note Type Comments Provided By
melting_point 122 - 124 KeyOrganics

Activity (Go SEA)

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