UCSF

ZINC53129831

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 19 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) 1.67 4.46 -46.85 2 5 1 68 259.333 5
Lo Low (pH 4.5-6) 1.67 4.92 -93.35 3 5 2 70 260.341 5

Activity (Go SEA)

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