UCSF

ZINC52396822

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 23 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) 3.31 10.73 -10.66 0 3 0 24 308.425 4
Lo Low (pH 4.5-6) 3.31 11.38 -35.09 1 3 1 25 309.433 4

Activity (Go SEA)

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