UCSF

ZINC42318445

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 20 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) 1.89 4.67 -55.75 3 3 1 44 290.818 6
Lo Low (pH 4.5-6) 1.89 5.13 -108.64 4 3 2 45 291.826 6

Activity (Go SEA)

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