UCSF

ZINC28384098

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 23 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) 3.26 5.68 -9.33 3 3 0 55 322.33 6
Mid Mid (pH 6-8) 3.26 6.76 -44.64 4 3 1 60 323.338 6

Activity (Go SEA)

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