UCSF

ZINC01404811

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 25 No

Other Names:

MFCD00975533

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) 3.99 0.84 -11.33 1 4 0 47 352.459 4

Vendor Notes

Note Type Comments Provided By
melting_point 227 - 229 KeyOrganics

Activity (Go SEA)

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