UCSF

ZINC43476842

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) 3.29 5.2 -8.36 2 3 0 56 258.708 3
Hi High (pH 8-9.5) 3.29 5.97 -45.36 1 3 -1 59 257.7 3

Activity (Go SEA)

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