UCSF

ZINC28376860

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 39 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) -0.94 7.87 -67.09 5 10 -1 165 537.637 11
Mid Mid (pH 6-8) -0.94 8.19 -90.87 6 10 0 167 538.645 11

Activity (Go SEA)

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