UCSF

ZINC22257980

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2008 25 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) 3.77 11.58 -88.96 3 5 2 47 335.455 4
Hi High (pH 8-9.5) 3.77 8.83 -9.67 1 5 0 44 333.439 4
Mid Mid (pH 6-8) 3.77 9.11 -25.81 2 5 1 46 334.447 4

Activity (Go SEA)

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