UCSF

ZINC01386265

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 28 Yes

Other Names:

MFCD03848446

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) 4.54 3.77 -11.07 0 5 0 64 374.44 5
Lo Low (pH 4.5-6) 4.54 3.86 -43.01 1 5 1 65 375.448 5

Vendor Notes

Note Type Comments Provided By
melting_point 182 - 183 KeyOrganics

Activity (Go SEA)

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

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