UCSF

ZINC13470910

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 25 No

Other Names:

MFCD00169988

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) 2.09 5.56 -22.16 3 7 0 107 331.335 2
Mid Mid (pH 6-8) 2.54 3.61 -68.06 2 7 -1 110 330.327 2
Lo Low (pH 4.5-6) 2.09 5.01 -34.06 3 7 0 107 331.335 2

Vendor Notes

Note Type Comments Provided By
melting_point 0 KeyOrganics

Activity (Go SEA)

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

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