UCSF

ZINC12951351

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 37 Yes

Other Names:

MFCD03012683

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) 0.88 6.66 -68.5 2 11 1 109 518.587 11
Mid Mid (pH 6-8) 0.88 4.44 -20.32 1 11 0 108 517.579 11

Vendor Notes

Note Type Comments Provided By
melting_point 142 - 144 KeyOrganics

Activity (Go SEA)

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