UCSF

ZINC49510435

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2010 17 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) 3.33 7.62 -28.6 2 2 1 26 253.366 3
Hi High (pH 8-9.5) 3.33 6.55 -5.37 1 2 0 24 252.358 2

Activity (Go SEA)

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

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