UCSF

ZINC05753815

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2006 22 No

Other Names:

MFCD00141769

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) 4.80 7.38 -9.07 1 4 0 55 355.608 2
Hi High (pH 8-9.5) 4.80 8.53 -55.78 0 4 -1 57 354.6 2
Hi High (pH 8-9.5) 4.80 7.77 -50.84 0 4 -1 57 354.6 2

Vendor Notes

Note Type Comments Provided By
melting_point 288 KeyOrganics

Activity (Go SEA)

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