UCSF

ZINC40410944

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 33 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) 3.06 7.68 -16.78 4 10 0 146 500.558 14
Lo Low (pH 4.5-6) 3.06 8.06 -37.09 5 10 1 147 501.566 14

Activity (Go SEA)

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