UCSF

ZINC21568731

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 24 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) 1.16 6.6 -23.45 2 7 0 85 354.476 6
Lo Low (pH 4.5-6) 1.16 7.01 -49.66 3 7 1 87 355.484 6

Activity (Go SEA)

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