UCSF

ZINC40018902

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2010 35 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 6.32 14.52 -73.9 1 6 0 78 480.649 14
Lo Low (pH 4.5-6) 6.32 13.95 -45.88 2 6 1 75 481.657 14

Activity (Go SEA)

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