UCSF

ZINC06491707

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2006 17 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) 4.82 11.02 -43.49 0 2 -1 40 239.379 9
Lo Low (pH 4.5-6) 4.82 9.02 -4.95 1 2 0 37 240.387 9

Activity (Go SEA)

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