UCSF

ZINC43704232

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 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) -0.15 4.5 -65.21 1 5 0 57 228.292 4
Hi High (pH 8-9.5) -0.15 2.06 -46.51 0 5 -1 56 227.284 4
Lo Low (pH 4.5-6) -0.15 6.78 -111.46 2 5 1 58 229.3 4

Activity (Go SEA)

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