UCSF

ZINC04783943

Substance Information

In ZINC since Heavy atoms Benign functionality
January 3rd, 2006 26 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) 6.09 7.46 -5.66 2 3 0 45 368.546 3
Lo Low (pH 4.5-6) 6.09 9.04 -32.33 3 3 1 46 369.554 3

Activity (Go SEA)

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