UCSF

ZINC43899047

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) 2.28 3.61 -35.35 2 4 1 38 277.388 3
Hi High (pH 8-9.5) 2.28 2.69 -4.4 1 4 0 34 276.38 3
Lo Low (pH 4.5-6) 2.28 5.79 -118.4 3 4 2 40 278.396 3

Activity (Go SEA)

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