UCSF

ZINC13118187

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 24 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) 3.10 6.14 -13.44 1 6 0 80 324.384 3
Mid Mid (pH 6-8) 3.56 4.46 -58.02 0 6 -1 83 323.376 3

Activity (Go SEA)

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