UCSF

ZINC19264027

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 21 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) 0.65 4.94 -38.36 3 5 1 64 283.355 2
Mid Mid (pH 6-8) 0.65 4.66 -13.29 2 5 0 62 282.347 2

Activity (Go SEA)

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