UCSF

ZINC43447024

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 13 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) 1.68 6.61 -31.27 1 3 1 31 186.275 4
Hi High (pH 8-9.5) 1.68 4.45 -5.31 0 3 0 30 185.267 4

Activity (Go SEA)

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