UCSF

ZINC16661589

Substance Information

In ZINC since Heavy atoms Benign functionality
September 3rd, 2008 29 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) 2.92 3.68 -20.97 1 8 0 110 438.527 5
Hi High (pH 8-9.5) 2.92 3.75 -59.73 0 8 -1 112 437.519 5

Activity (Go SEA)

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