UCSF

ZINC43410641

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) -0.46 -1.74 -8.54 5 7 0 115 294.355 6
Mid Mid (pH 6-8) -0.46 -1.25 -26.93 6 7 1 116 295.363 6

Activity (Go SEA)

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