UCSF

ZINC20735363

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 29 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) 3.20 8.26 -12.71 1 6 0 71 386.455 3
Ref Reference (pH 7) 3.02 10.66 -10.63 1 6 0 67 386.455 3

Activity (Go SEA)

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