UCSF

ZINC05303878

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 27 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) 1.60 9.04 -12.73 0 6 0 68 362.433 3
Lo Low (pH 4.5-6) 1.60 9.6 -34.58 1 6 1 69 363.441 3

Activity (Go SEA)

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