UCSF

ZINC42896113

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 17 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) 0.33 0.71 -10.44 2 5 0 67 234.255 5
Mid Mid (pH 6-8) 0.51 -0.61 -42.13 2 5 0 78 234.255 5

Activity (Go SEA)

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