UCSF

ZINC43437119

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 3.37 7.32 -35.63 2 2 1 20 227.416 3
Hi High (pH 8-9.5) 3.37 6.11 -26.23 2 2 1 16 227.416 3
Lo Low (pH 4.5-6) 3.37 7.32 -102.3 3 2 2 21 228.424 3

Activity (Go SEA)

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