UCSF

ZINC42867695

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 13 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) 1.61 0.75 -38.18 1 5 1 67 198.275 5
Mid Mid (pH 6-8) 1.61 -1.58 -4.77 0 5 0 66 197.267 5

Activity (Go SEA)

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