UCSF

ZINC22564638

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2008 19 Yes

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 6.14 -48.34 3 3 1 46 258.341 6
Hi High (pH 8-9.5) 1.54 5.86 -4.66 2 3 0 44 257.333 6

Activity (Go SEA)

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