UCSF

ZINC54315471

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2010 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.47 7.65 -9.07 1 6 0 62 379.888 5
Lo Low (pH 4.5-6) 2.47 7.71 -34.31 2 6 1 63 380.896 5

Activity (Go SEA)

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