UCSF

ZINC23071820

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 13 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) -0.21 4.86 -110.92 4 2 2 32 180.295 3
Hi High (pH 8-9.5) -0.21 2.23 -2.11 2 2 0 29 178.279 3
Mid Mid (pH 6-8) -0.21 4.56 -30.56 3 2 1 30 179.287 3
Mid Mid (pH 6-8) -0.21 2.62 -45.83 3 2 1 31 179.287 3

Activity (Go SEA)

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