UCSF

ZINC83309530

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2013 28 No

Other Names:

MFCD02146700

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) 3.27 8.02 -10.54 1 6 0 71 401.463 5
Lo Low (pH 4.5-6) -0.40 8.75 -34.25 2 6 1 70 402.471 6

Activity (Go SEA)

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

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