UCSF

ZINC12954496

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 28 No

Other Names:

MFCD00169293

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) 7.23 15.06 -10.88 0 3 0 43 411.284 6

Vendor Notes

Note Type Comments Provided By
melting_point 133 - 135 KeyOrganics

Activity (Go SEA)

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