UCSF

ZINC43894358

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 1.74 5.29 -32.33 2 3 1 29 234.367 4
Hi High (pH 8-9.5) 1.74 4.65 -32.08 2 3 1 33 234.367 4
Lo Low (pH 4.5-6) 1.74 5.36 -88.29 3 3 2 34 235.375 4

Activity (Go SEA)

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