UCSF

ZINC15866092

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2008 23 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) 1.75 3.5 -13.88 1 6 0 79 339.461 5
Lo Low (pH 4.5-6) 1.75 3.78 -44.09 2 6 1 81 340.469 5

Activity (Go SEA)

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