UCSF

ZINC43461323

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 1.78 7.81 -89.31 3 4 2 34 277.412 5
Hi High (pH 8-9.5) 1.78 5.31 -38.24 2 4 1 32 276.404 5
Hi High (pH 8-9.5) 1.78 6.53 -35.06 2 4 1 29 276.404 5

Activity (Go SEA)

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