UCSF

ZINC08743223

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 39 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) 3.83 7.63 -63.38 1 8 -1 102 527.597 9
Mid Mid (pH 6-8) 3.24 -2.33 -54.78 2 8 1 97 529.613 9
Mid Mid (pH 6-8) 3.83 9.98 -73.94 2 8 0 104 528.605 9

Activity (Go SEA)

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