UCSF

ZINC39354556

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2010 28 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) 3.32 8.59 -101.57 3 5 2 65 397.906 3
Hi High (pH 8-9.5) 3.32 6.65 -34.26 2 5 1 63 396.898 3

Activity (Go SEA)

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