UCSF

ZINC33025653

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2009 30 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) 3.73 8.79 -16.06 2 7 0 85 469.318 6
Lo Low (pH 4.5-6) 3.73 9.22 -53.75 3 7 1 86 470.326 6

Activity (Go SEA)

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