UCSF

ZINC43513170

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2010 21 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) 3.57 6.51 -46.86 2 2 1 26 314.249 3
Hi High (pH 8-9.5) 3.57 5.23 -3.63 1 2 0 21 313.241 3

Activity (Go SEA)

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