UCSF

ZINC42915245

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 19 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) 2.19 5.98 -116.49 4 3 2 41 270.392 8
Hi High (pH 8-9.5) 2.19 4.59 -45.02 3 3 1 40 269.384 8
Mid Mid (pH 6-8) 2.19 5.67 -35.44 3 3 1 40 269.384 8

Activity (Go SEA)

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