UCSF

ZINC20738707

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 35 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) 2.82 10.62 -52.41 3 10 1 134 484.577 5
Hi High (pH 8-9.5) 2.82 8.58 -17.67 2 10 0 133 483.569 5
Hi High (pH 8-9.5) 2.82 8.46 -16.26 2 10 0 133 483.569 5

Activity (Go SEA)

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