UCSF

ZINC55168223

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 25 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) 2.42 9.46 -45.74 2 5 1 54 366.551 9
Hi High (pH 8-9.5) 2.42 7.06 -9.56 1 5 0 53 365.543 9

Activity (Go SEA)

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