UCSF

ZINC49330738

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 15 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) -0.69 3.87 -88.66 4 4 2 50 210.325 4
Hi High (pH 8-9.5) -0.69 3.39 -48.96 3 4 1 49 209.317 4
Lo Low (pH 4.5-6) -0.69 5.66 -198.34 5 4 3 51 211.333 4

Activity (Go SEA)

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