UCSF

ZINC21809754

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 17 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) -0.05 -0.18 -12.58 4 5 0 88 235.287 3
Lo Low (pH 4.5-6) -0.05 0.11 -37.82 5 5 1 89 236.295 3

Activity (Go SEA)

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