UCSF

ZINC39849426

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 34 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) 3.68 12.67 -73.21 1 7 0 87 466.578 12
Lo Low (pH 4.5-6) 3.68 11.79 -44.54 2 7 1 84 467.586 12

Activity (Go SEA)

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