UCSF

ZINC39327935

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 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) 2.74 4.42 -10.45 3 5 0 81 366.368 4
Lo Low (pH 4.5-6) 2.74 4.89 -40.31 4 5 1 82 367.376 4

Activity (Go SEA)

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