UCSF

ZINC43705006

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 -0.1 -56.03 0 6 -1 87 248.28 2
Mid Mid (pH 6-8) -1.06 2.13 -67.87 1 6 0 88 249.288 2

Activity (Go SEA)

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