UCSF

ZINC40123179

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 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) 5.72 10.02 -56 1 7 -1 97 480.581 14
Lo Low (pH 4.5-6) 5.72 9.26 -15 2 7 0 94 481.589 14

Activity (Go SEA)

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