UCSF

ZINC19384873

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 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) -0.16 0.86 -84.89 4 4 2 48 208.309 3
Mid Mid (pH 6-8) -0.16 0.58 -48.86 3 4 1 47 207.301 3
Lo Low (pH 4.5-6) -0.16 4.22 -121.27 4 4 2 48 208.309 3
Lo Low (pH 4.5-6) -0.16 4.54 -185.51 5 4 3 49 209.317 3

Activity (Go SEA)

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