UCSF

ZINC43479343

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 18 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) 4.77 6.2 -5.06 2 2 0 32 326.621 3
Hi High (pH 8-9.5) 4.77 6.97 -38.96 1 2 -1 35 325.613 3

Activity (Go SEA)

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