UCSF

ZINC22167631

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 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) 1.64 1.46 -11.78 3 5 0 80 237.284 2
Ref Reference (pH 7) 0.71 2.52 -18.28 3 5 0 77 237.284 3

Activity (Go SEA)

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