UCSF

ZINC67981024

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2011 23 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) 3.67 8.94 -45.1 2 4 1 43 333.839 5
Hi High (pH 8-9.5) 3.67 6.47 -7.46 1 4 0 42 332.831 5

Activity (Go SEA)

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