UCSF

ZINC53159945

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 18 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) 1.59 4.97 -46.41 2 5 -1 81 269.708 6
Lo Low (pH 4.5-6) 1.59 2.99 -11.37 3 5 0 78 270.716 6

Activity (Go SEA)

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