UCSF

ZINC52232772

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 15 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) 1.39 6.74 -7.61 0 3 0 39 207.273 5
Lo Low (pH 4.5-6) 1.39 7.27 -34.73 1 3 1 40 208.281 5

Activity (Go SEA)

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