UCSF

ZINC35386626

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 15 Yes

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) -0.51 2.91 -57.43 3 6 0 99 229.261 6
Mid Mid (pH 6-8) -0.69 1.66 -63.06 2 6 -1 105 228.253 6

Activity (Go SEA)

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