UCSF

ZINC13285614

Substance Information

In ZINC since Heavy atoms Benign functionality
June 15th, 2008 19 No

Other Names:

MFCD03848626

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) 1.60 6.15 -18.73 1 7 0 113 264.237 7

Vendor Notes

Note Type Comments Provided By
melting_point 137 - 138 KeyOrganics

Activity (Go SEA)

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