UCSF

ZINC20245729

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 15 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) -0.87 2.15 -72.73 1 6 0 82 236.293 3
Hi High (pH 8-9.5) -0.87 -0.31 -53.56 0 6 -1 81 235.285 3

Activity (Go SEA)

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