UCSF

ZINC12952106

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 39 No

Other Names:

MFCD01315124

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) 6.15 16.69 -11.45 1 6 0 69 538.648 10

Vendor Notes

Note Type Comments Provided By
melting_point 167 - 168 KeyOrganics

Activity (Go SEA)

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