UCSF

ZINC42945838

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 18 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) 3.46 8.47 -125.85 4 2 2 32 270.848 6
Hi High (pH 8-9.5) 3.46 8.2 -37.32 3 2 1 30 269.84 6
Mid Mid (pH 6-8) 3.46 6.76 -40.88 3 2 1 31 269.84 6

Activity (Go SEA)

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