UCSF

ZINC37813422

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 1.06 4.37 -47.39 3 5 1 66 270.397 6
Hi High (pH 8-9.5) 1.06 3.17 -13.44 2 5 0 61 269.389 6

Activity (Go SEA)

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