UCSF

ZINC49257785

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 17 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) 2.47 5.99 -6.72 1 2 0 33 227.307 3
Lo Low (pH 4.5-6) 2.47 6.45 -38.52 2 2 1 34 228.315 3

Activity (Go SEA)

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