UCSF

ZINC19483539

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 20 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) 1.17 4.33 -52.56 3 5 1 64 297.448 7
Lo Low (pH 4.5-6) 1.17 4.7 -86.51 4 5 2 65 298.456 7

Activity (Go SEA)

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