UCSF

ZINC38601097

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 18 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
Lo Low (pH 4.5-6) -0.04 -2.24 -16.37 4 7 0 118 269.282 4
Lo Low (pH 4.5-6) -0.04 -2.38 -58.64 5 7 1 120 270.29 4

Activity (Go SEA)

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