UCSF

ZINC29675227

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2009 28 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) 2.25 7.55 -52.49 2 6 1 57 395.474 5
Hi High (pH 8-9.5) 2.25 5.32 -16.15 1 6 0 56 394.466 5
Hi High (pH 8-9.5) 2.25 7.55 -47.82 2 6 1 57 395.474 5
Lo Low (pH 4.5-6) 2.25 9.83 -133.37 3 6 2 58 396.482 5

Activity (Go SEA)

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