UCSF

ZINC83333895

Substance Information

In ZINC since Heavy atoms Benign functionality
January 16th, 2013 30 No

Other Names:

MFCD01986093

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) 3.56 8.03 -14.09 1 7 0 80 427.526 7
Lo Low (pH 4.5-6) -0.10 8.97 -31.51 2 7 1 80 428.534 8

Activity (Go SEA)

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

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