UCSF

ZINC26568785

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 11 No

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) -0.82 1.16 -129.4 1 5 -1 80 180.12 5
Hi High (pH 8-9.5) -0.82 -1.33 -132.62 0 5 -2 75 179.112 5
Mid Mid (pH 6-8) -0.82 -0.04 -61.56 2 5 0 77 181.128 5

Activity (Go SEA)

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