UCSF

ZINC20881172

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 22 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) 3.30 6.77 -58.36 1 5 -1 71 300.334 6
Lo Low (pH 4.5-6) 3.30 5.66 -12.33 2 5 0 68 301.342 6

Activity (Go SEA)

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