UCSF

ZINC05699099

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 23 No

Other Names:

MFCD01569071

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) 1.60 3.39 -50.06 1 6 -1 90 353.376 2
Lo Low (pH 4.5-6) 1.58 2.11 -18.51 1 6 0 84 354.384 2

Vendor Notes

Note Type Comments Provided By
melting_point 212 - 215 KeyOrganics

Activity (Go SEA)

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