UCSF

ZINC43898276

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 1.94 5.42 -39.79 2 4 1 38 277.388 3
Hi High (pH 8-9.5) 1.94 2.11 -4.3 1 4 0 34 276.38 3
Mid Mid (pH 6-8) 1.94 4.27 -39.28 2 4 1 35 277.388 3
Lo Low (pH 4.5-6) 1.94 5.43 -122.86 3 4 2 40 278.396 3

Activity (Go SEA)

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