UCSF

ZINC03052602

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 20 Yes

Other Names:

MFCD00140946

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) 3.51 8.79 -10.87 0 5 0 57 293.754 7

Vendor Notes

Note Type Comments Provided By
melting_point 81 - 82 KeyOrganics

Activity (Go SEA)

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

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