UCSF

ZINC25356114

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2009 24 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) 2.89 11.89 -50.85 2 4 1 38 321.448 6
Hi High (pH 8-9.5) 2.89 10.61 -7.84 1 4 0 33 320.44 6
Lo Low (pH 4.5-6) 2.89 12.37 -89.53 3 4 2 39 322.456 6

Activity (Go SEA)

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