UCSF

ZINC45373006

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 39 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) 8.90 19.35 -22.27 2 6 1 66 528.717 12
Mid Mid (pH 6-8) 8.90 19.25 -17.56 1 6 0 65 527.709 12
Mid Mid (pH 6-8) 8.90 19.42 -36.68 2 6 1 69 528.717 12
Lo Low (pH 4.5-6) 8.90 19.37 -82.11 3 6 2 71 529.725 12

Activity (Go SEA)

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