UCSF

ZINC43700079

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 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) -2.58 2.78 -73.48 4 5 1 75 216.305 4
Hi High (pH 8-9.5) -2.58 2.03 -61.86 3 5 0 74 215.297 4
Mid Mid (pH 6-8) -2.58 2.07 -82.63 4 5 1 75 216.305 4

Activity (Go SEA)

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