UCSF

ZINC03052309

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 22 Yes

Other Names:

MFCD00140754

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) 2.11 6.29 -14.61 1 6 0 69 294.314 4

Vendor Notes

Note Type Comments Provided By
melting_point 173 - 174 KeyOrganics

Activity (Go SEA)

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