UCSF

ZINC37980606

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 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) -0.39 0.64 -40.94 2 5 1 55 185.251 5
Hi High (pH 8-9.5) -0.39 -1.83 -6.35 1 5 0 54 184.243 5
Mid Mid (pH 6-8) -0.39 -0.46 -45.69 2 5 1 59 185.251 5
Mid Mid (pH 6-8) -0.39 1.99 -119.62 3 5 2 60 186.259 5

Activity (Go SEA)

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