UCSF

ZINC43412249

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 1.78 4.64 -92.03 4 5 2 67 315.483 8
Hi High (pH 8-9.5) 1.78 2.32 -51.4 3 5 1 66 314.475 8

Activity (Go SEA)

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