UCSF

ZINC36881956

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 15 No

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) 0.46 1.84 -15.36 1 4 0 59 248.735 6
Lo Low (pH 4.5-6) 0.46 2.29 -46.88 2 4 1 60 249.743 6

Activity (Go SEA)

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