UCSF

ZINC42717288

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 15 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) 1.16 5.46 -54.07 1 5 0 70 249.723 6
Hi High (pH 8-9.5) 1.16 3.15 -45.4 0 5 -1 69 248.715 6

Activity (Go SEA)

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