UCSF

ZINC43459853

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) 4.22 8.37 -39.27 2 1 1 17 282.276 7
Hi High (pH 8-9.5) 4.22 7.37 -4.42 1 1 0 12 281.268 7

Activity (Go SEA)

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