UCSF

ZINC47383451

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 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) 2.85 6.49 -122.82 0 6 -2 101 376.34 4
Mid Mid (pH 6-8) 2.85 7.01 -89.45 1 6 -1 103 377.348 4

Activity (Go SEA)

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