UCSF

ZINC41499662

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 24 Yes

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) 2.85 9.23 -17.86 0 6 0 79 325.32 5
Lo Low (pH 4.5-6) 2.85 9.63 -45.98 1 6 1 80 326.328 5

Activity (Go SEA)

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