UCSF

ZINC16545891

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 24 Yes

Other Names:

MFCD07809757

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) 4.25 9.7 -12.93 1 5 0 59 311.348 2
Lo Low (pH 4.5-6) 4.25 9.27 -122.13 3 5 2 59 313.364 1
Lo Low (pH 4.5-6) 4.25 9.59 -27.25 2 5 1 61 312.356 1

Activity (Go SEA)

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

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