UCSF

ZINC40019547

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2010 38 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) 6.63 16.65 -76.36 1 6 0 74 518.698 16
Lo Low (pH 4.5-6) 6.63 15.9 -53.13 2 6 1 71 519.706 16

Activity (Go SEA)

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