UCSF

ZINC12434782

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2008 28 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) 2.96 7.92 -53.35 2 5 1 59 394.417 6
Lo Low (pH 4.5-6) 2.96 8.56 -119.39 3 5 2 60 395.425 6

Activity (Go SEA)

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