UCSF

ZINC69055131

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2011 18 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) -1.05 4.32 -62.71 1 8 -1 113 268.23 4
Lo Low (pH 4.5-6) -1.05 4.81 -80.76 2 8 0 114 269.238 4

Activity (Go SEA)

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

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