UCSF

ZINC43700092

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) -2.84 3.53 -88.29 4 5 1 85 210.257 5
Hi High (pH 8-9.5) -2.84 1.08 -44.25 2 5 -1 82 208.241 5
Hi High (pH 8-9.5) -2.84 3.13 -42.03 3 5 0 83 209.249 5
Mid Mid (pH 6-8) -2.84 1.53 -36.64 3 5 0 84 209.249 5
Lo Low (pH 4.5-6) -2.84 1.95 -72.75 4 5 1 85 210.257 5

Activity (Go SEA)

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