UCSF

ZINC39912361

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 34 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) 6.31 13.04 -12.71 2 5 0 69 451.57 5
Hi High (pH 8-9.5) 6.31 14.17 -38.2 1 5 -1 72 450.562 5

Activity (Go SEA)

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