UCSF

ZINC41537407

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 28 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) 2.83 10.31 -67.26 1 5 0 65 400.475 6
Lo Low (pH 4.5-6) 2.83 9.56 -47.11 2 5 1 62 401.483 6

Activity (Go SEA)

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