UCSF

ZINC43413555

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 2.03 8.17 -46.37 2 5 0 79 277.368 5
Mid Mid (pH 6-8) 2.03 7.77 -44.07 1 5 -1 78 276.36 5
Lo Low (pH 4.5-6) 2.03 6.19 -28.39 3 5 1 76 278.376 5

Activity (Go SEA)

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