UCSF

ZINC69100116

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 20 No

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) -1.54 2.9 -41.38 2 6 0 94 304.412 7
Hi High (pH 8-9.5) -1.54 3.94 -47.34 1 6 -1 90 303.404 7
Lo Low (pH 4.5-6) -1.54 4.67 -86.63 3 6 1 95 305.42 7

Activity (Go SEA)

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

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