UCSF

ZINC28842660

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2009 16 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) 0.32 2.54 -10.48 1 5 0 54 223.276 5
Lo Low (pH 4.5-6) 0.32 2.81 -38.98 2 5 1 56 224.284 5

Activity (Go SEA)

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