UCSF

ZINC43447247

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 19 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) 3.59 8.47 -37.41 2 4 1 52 331.23 9
Hi High (pH 8-9.5) 3.59 7.02 -7.23 1 4 0 48 330.222 9

Activity (Go SEA)

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