UCSF

ZINC21806251

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 5.44 9.72 -51.99 3 1 1 28 274.815 5
Hi High (pH 8-9.5) 5.44 9.38 -3.59 2 1 0 26 273.807 5

Activity (Go SEA)

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