UCSF

ZINC87492710

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2013 24 No

Other Names:

MFCD00062759

MFCD00071569

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) -0.04 7.52 -16.62 2 8 0 113 357.432 11
Lo Low (pH 4.5-6) -0.04 7.52 -28.91 3 8 1 114 358.44 11

Activity (Go SEA)

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

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