UCSF

ZINC43470754

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 21 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) 2.10 7.63 -92.97 4 4 2 45 293.455 7
Hi High (pH 8-9.5) 2.10 5.13 -41.41 3 4 1 43 292.447 7

Activity (Go SEA)

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