UCSF

ZINC06273116

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2006 25 Yes

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) 5.29 10.99 -10.66 1 4 0 45 357.523 6
Lo Low (pH 4.5-6) 5.29 11.3 -30.19 2 4 1 46 358.531 6

Activity (Go SEA)

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