UCSF

ZINC42765382

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 16 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) 2.99 5.55 -6.51 0 2 0 27 234.265 4
Lo Low (pH 4.5-6) 2.99 7.04 -41.93 1 2 1 28 235.273 4

Activity (Go SEA)

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