UCSF

ZINC45366335

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 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) 8.33 18.64 -24.09 2 5 1 57 464.674 12
Mid Mid (pH 6-8) 8.33 18.52 -35.32 2 5 1 60 464.674 12
Mid Mid (pH 6-8) 8.33 18.34 -15.92 1 5 0 56 463.666 12
Lo Low (pH 4.5-6) 8.33 18.46 -83.77 3 5 2 61 465.682 12

Activity (Go SEA)

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