UCSF

ZINC49363346

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 20 No

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) -0.12 -0.15 -7.48 2 6 0 71 297.38 5
Lo Low (pH 4.5-6) -0.12 1.59 -39.25 3 6 1 72 298.388 5

Activity (Go SEA)

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