UCSF

ZINC05644785

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2006 24 Yes

Other Names:

MFCD03102533

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.57 0.79 -36.7 2 6 1 70 325.392 7

Vendor Notes

Note Type Comments Provided By
melting_point 128 - 129 KeyOrganics

Activity (Go SEA)

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

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