UCSF

ZINC40163548

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2010 44 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) 5.96 7.87 -14.33 2 8 0 84 594.708 2
Hi High (pH 8-9.5) 5.96 8.79 -61.8 1 8 -1 87 593.7 2
Mid Mid (pH 6-8) 5.96 10.69 -57.67 3 8 1 85 595.716 2

Activity (Go SEA)

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