UCSF

ZINC71980900

Substance Information

In ZINC since Heavy atoms Benign functionality
February 22nd, 2012 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) 2.78 5.94 -43.06 1 4 -1 69 256.068 2

Activity (Go SEA)

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