UCSF

ZINC42454445

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 Yes

Download: MOL2 SDF SMILES Flexibase

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) -0.10 5.94 -49.36 1 4 1 49 198.29 6
Mid Mid (pH 6-8) -0.10 3.89 -11.76 0 4 0 47 197.282 6

Activity (Go SEA)

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