UCSF

ZINC20310201

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 33 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) 3.32 8.82 -82.05 2 8 0 104 454.523 10
Hi High (pH 8-9.5) 3.32 9.84 -139.33 1 8 -1 106 453.515 10
Hi High (pH 8-9.5) 3.32 7.31 -132.58 0 8 -2 105 452.507 10

Activity (Go SEA)

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