UCSF

ZINC13858374

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 31 No

Other Names:

MFCD00975412

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) 3.50 6.65 -16.63 1 8 0 91 425.416 9
Ref Reference (pH 7) 3.50 7.98 -20.74 1 8 0 91 425.416 9
Hi High (pH 8-9.5) 3.57 5.5 -60.93 0 8 -1 98 424.408 9

Vendor Notes

Note Type Comments Provided By
melting_point 100 - 102 KeyOrganics

Activity (Go SEA)

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