UCSF

ZINC54439546

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 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) 4.93 10.05 -39.35 2 2 1 29 297.447 4
Hi High (pH 8-9.5) 4.93 8.8 -6.26 1 2 0 25 296.439 4

Activity (Go SEA)

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