UCSF

ZINC15936718

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 29 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) 2.67 8.02 -50.73 1 7 -1 107 480.36 6
Lo Low (pH 4.5-6) 2.67 6.05 -20.02 2 7 0 104 481.368 6

Activity (Go SEA)

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