UCSF

ZINC16896076

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 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) 7.22 12.88 -20.43 2 5 0 75 489.666 6
Hi High (pH 8-9.5) 7.68 11.64 -54.77 1 5 -1 78 488.658 6

Activity (Go SEA)

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