UCSF

ZINC39381935

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 22 Yes

Other Names:

MFCD20257749

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) 2.75 7.81 -38.03 4 3 1 42 296.438 5
Lo Low (pH 4.5-6) 2.75 6.86 -39.53 4 3 1 46 296.438 5
Lo Low (pH 4.5-6) 2.75 9.08 -112.47 5 3 2 47 297.446 5

Vendor Notes

Note Type Comments Provided By
melting_point Oil / LMS KeyOrganics

Activity (Go SEA)

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