UCSF

ZINC69909640

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 15 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) 0.93 5.8 -42.09 2 3 1 37 229.369 3
Hi High (pH 8-9.5) 0.93 4.51 -7.72 1 3 0 32 228.361 3

Activity (Go SEA)

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

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