UCSF

ZINC43705007

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 16 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) -1.06 -0.06 -52.26 0 6 -1 87 248.28 2
Mid Mid (pH 6-8) -1.06 2.14 -63.83 1 6 0 88 249.288 2

Activity (Go SEA)

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