UCSF

ZINC39764182

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 31 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) 2.99 10.87 -71.19 1 6 0 78 441.597 9
Lo Low (pH 4.5-6) 2.99 10.11 -44.62 2 6 1 75 442.605 9

Activity (Go SEA)

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