UCSF

ZINC46502919

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2010 20 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) 2.14 6.7 -40.85 2 4 1 43 277.388 6
Hi High (pH 8-9.5) 2.14 4.88 -8.96 1 4 0 42 276.38 6

Activity (Go SEA)

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