UCSF

ZINC20758125

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 33 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) 3.32 8.53 -25.4 3 8 0 107 446.507 5
Hi High (pH 8-9.5) 3.32 6.69 -41.68 2 8 -1 106 445.499 5
Hi High (pH 8-9.5) 3.32 6.7 -41.87 2 8 -1 106 445.499 5

Activity (Go SEA)

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