UCSF

ZINC06417062

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2006 18 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) 2.50 8.69 -7.41 0 2 0 30 239.318 4
Lo Low (pH 4.5-6) 2.50 8.97 -33.55 1 2 1 31 240.326 4

Activity (Go SEA)

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