UCSF

ZINC42897193

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 21 No

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) 2.90 8.38 -45.71 0 5 -1 53 297.363 5
Mid Mid (pH 6-8) 2.17 8.42 -12.55 1 5 0 56 298.371 5

Activity (Go SEA)

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