UCSF

ZINC05320274

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 25 No

Other Names:

MFCD00243554

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) 2.45 0.04 -21.64 0 6 0 74 402.255 5

Vendor Notes

Note Type Comments Provided By
melting_point 181 - 184 KeyOrganics

Activity (Go SEA)

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