UCSF

ZINC48613467

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 19 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) 2.26 8.3 -36.75 1 4 1 38 265.377 5
Hi High (pH 8-9.5) 2.26 6.09 -8.43 0 4 0 37 264.369 5

Activity (Go SEA)

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