UCSF

ZINC40123950

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 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) 4.50 7.76 -46.14 1 5 -1 78 417.268 6
Lo Low (pH 4.5-6) 4.50 7 -10.08 2 5 0 76 418.276 6

Activity (Go SEA)

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