UCSF

ZINC43897742

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) 2.22 4.01 -40.72 2 4 1 38 277.388 2
Hi High (pH 8-9.5) 2.22 3.73 -4.45 1 4 0 34 276.38 2
Lo Low (pH 4.5-6) 2.22 5.64 -121.84 3 4 2 40 278.396 2

Activity (Go SEA)

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