UCSF

ZINC43780812

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 28 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) -1.71 -5.65 -12.63 5 10 0 165 410.452 8
Mid Mid (pH 6-8) -1.71 -4.21 -52.68 6 10 1 160 411.46 8
Mid Mid (pH 6-8) -1.71 -5.63 -13.54 5 10 0 165 410.452 8

Activity (Go SEA)

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