UCSF

ZINC43248654

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 2.06 2.89 -51.17 4 4 1 60 298.476 7
Hi High (pH 8-9.5) 2.06 2.56 -8.07 3 4 0 58 297.468 7
Hi High (pH 8-9.5) 2.06 4.63 -29.15 4 4 1 60 298.476 7
Lo Low (pH 4.5-6) 2.06 4.93 -98.31 5 4 2 61 299.484 7

Activity (Go SEA)

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