UCSF

ZINC16640163

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2008 25 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) 3.63 8.37 -41.75 1 5 -1 70 352.439 4
Mid Mid (pH 6-8) 3.17 9.64 -13.22 2 5 0 67 353.447 4

Activity (Go SEA)

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