UCSF

ZINC23467927

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2009 24 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) 3.58 8.52 -38.66 2 4 1 37 324.448 5
Hi High (pH 8-9.5) 3.58 6.28 -11.93 1 4 0 36 323.44 5

Activity (Go SEA)

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