UCSF

ZINC03841503

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2005 21 Yes

Other Names:

MFCD00974928

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) 2.71 5.73 -14.5 1 4 0 55 323.801 5

Vendor Notes

Note Type Comments Provided By
melting_point 129 - 131 KeyOrganics

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.