UCSF

ZINC38234965

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 14 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) -3.94 2.66 -85.62 5 6 0 125 204.226 8
Hi High (pH 8-9.5) -3.94 1.63 -122.67 4 6 -1 120 203.218 8

Activity (Go SEA)

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