UCSF

ZINC49216700

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 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) 3.91 7.58 -30.68 2 2 1 16 227.416 8
Hi High (pH 8-9.5) 3.91 5.19 -0.86 1 2 0 15 226.408 8
Lo Low (pH 4.5-6) 3.91 8.79 -105.51 3 2 2 21 228.424 8
Lo Low (pH 4.5-6) 3.91 6.39 -34.49 2 2 1 20 227.416 8

Activity (Go SEA)

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