UCSF

ZINC40117641

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 31 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) 3.78 6.73 -56.85 1 7 -1 97 424.473 10
Lo Low (pH 4.5-6) 3.78 5.97 -15.59 2 7 0 94 425.481 10

Activity (Go SEA)

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