UCSF

ZINC43409682

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) 2.21 5.87 -100.7 4 4 2 54 277.412 2
Hi High (pH 8-9.5) 2.21 5.47 -48.17 3 4 1 53 276.404 2
Hi High (pH 8-9.5) 2.21 5.46 -23.92 3 4 1 53 276.404 2
Hi High (pH 8-9.5) 2.21 5.05 -4.89 2 4 0 51 275.396 2

Activity (Go SEA)

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