UCSF

ZINC04002898

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 18 Yes

Other Names:

MFCD01815104

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) 3.18 -1.46 -9.94 1 3 0 37 258.708 2
Mid Mid (pH 6-8) 3.18 -1.28 -27 2 3 1 38 259.716 2

Vendor Notes

Note Type Comments Provided By
melting_point 216 - 217 KeyOrganics

Activity (Go SEA)

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