UCSF

ZINC40162922

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2010 16 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) -1.07 0.94 -43.65 3 6 -1 104 223.208 4

Activity (Go SEA)

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