UCSF

ZINC48838283

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2010 21 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) -0.01 3.24 -65.6 3 6 0 89 293.367 5
Lo Low (pH 4.5-6) -0.01 1.49 -49.34 4 6 1 86 294.375 5

Activity (Go SEA)

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