UCSF

ZINC12956758

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 27 Yes

Other Names:

MFCD02186802

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) 5.85 10.27 -10.41 1 3 0 42 431.266 5

Vendor Notes

Note Type Comments Provided By
melting_point 106 - 107 KeyOrganics

Activity (Go SEA)

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