UCSF

ZINC42945455

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 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) 4.22 8.37 -120.47 4 2 2 32 296.886 4
Hi High (pH 8-9.5) 4.22 8.05 -34.41 3 2 1 30 295.878 4
Mid Mid (pH 6-8) 4.22 6.31 -43.16 3 2 1 31 295.878 4

Activity (Go SEA)

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