UCSF

ZINC43411704

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 1.06 3.63 -34.15 3 4 1 46 228.36 7
Hi High (pH 8-9.5) 1.06 2.71 -39.73 3 4 1 49 228.36 7
Hi High (pH 8-9.5) 1.06 1.51 -7.01 2 4 0 44 227.352 7
Lo Low (pH 4.5-6) 1.06 4.77 -110.12 4 4 2 50 229.368 7

Activity (Go SEA)

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