UCSF

ZINC15947930

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2008 17 No

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) -0.12 1.66 -7.44 2 5 0 71 235.287 5
Lo Low (pH 4.5-6) -0.12 2.07 -35.06 3 5 1 72 236.295 5

Activity (Go SEA)

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