UCSF

ZINC41663210

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 31 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.65 9.93 -9.99 0 5 0 46 432.545 5
Lo Low (pH 4.5-6) 4.65 12.77 -51.77 1 5 1 47 433.553 5
Lo Low (pH 4.5-6) 4.65 13.53 -115.32 2 5 0 48 434.561 5
Lo Low (pH 4.5-6) 4.65 10.67 -50.43 1 5 0 47 433.553 5

Activity (Go SEA)

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