UCSF

ZINC42324811

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 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) 2.44 7.49 -52.44 2 4 1 57 246.334 5
Mid Mid (pH 6-8) 2.44 5.74 -11.64 1 4 0 56 245.326 5

Activity (Go SEA)

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