UCSF

ZINC48694817

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2010 18 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) 2.21 6.65 -55.13 2 4 1 57 250.297 5
Mid Mid (pH 6-8) 2.21 4.64 -15.51 1 4 0 56 249.289 5

Activity (Go SEA)

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