UCSF

ZINC13383325

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 18 Yes

Other Names:

MFCD07779146

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) 2.31 6.07 -50.92 1 4 -1 69 239.254 3
Lo Low (pH 4.5-6) 2.31 6.33 -52.54 2 4 0 70 240.262 3

Activity (Go SEA)

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

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