UCSF

ZINC05095806

Substance Information

In ZINC since Heavy atoms Benign functionality
January 21st, 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) 4.67 9.97 -10.58 2 4 0 54 355.507 8
Lo Low (pH 4.5-6) 4.67 10.32 -31.85 3 4 1 55 356.515 8

Activity (Go SEA)

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