UCSF

ZINC49916582

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2010 26 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) 2.05 8.34 -44.98 2 7 0 83 435.327 6
Hi High (pH 8-9.5) 2.05 7.46 -15.21 1 7 0 81 434.319 6

Activity (Go SEA)

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

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