UCSF

ZINC43272961

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 26 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) 1.75 6.99 -43.93 2 6 1 55 376.912 5
Mid Mid (pH 6-8) 1.75 5.42 -33.12 2 6 1 55 376.912 5
Mid Mid (pH 6-8) 1.75 7.04 -44.59 2 6 1 55 376.912 5
Mid Mid (pH 6-8) 1.75 4.8 -12.77 1 6 0 53 375.904 5
Lo Low (pH 4.5-6) 1.75 7.61 -90.11 3 6 2 56 377.92 5

Activity (Go SEA)

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