UCSF

ZINC33807860

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 26 No

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) 0.82 0.39 -48.78 6 7 1 116 411.972 6
Mid Mid (pH 6-8) 0.82 -0.87 -13.41 5 7 0 111 410.964 6

Activity (Go SEA)

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