UCSF

ZINC36748850

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 19 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) -0.32 -1.94 -52.85 3 9 -1 158 288.261 6
Mid Mid (pH 6-8) -0.32 -2.93 -21.4 4 9 0 155 289.269 6

Activity (Go SEA)

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