UCSF

ZINC25258491

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2009 34 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) 4.39 9.19 -50.72 3 7 1 83 479.626 6
Hi High (pH 8-9.5) 4.39 6.8 -52.71 1 7 -1 84 477.61 6
Mid Mid (pH 6-8) 4.39 6.73 -17.68 2 7 0 82 478.618 6

Activity (Go SEA)

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