UCSF

ZINC16693550

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.24 8.05 -12.75 0 6 0 57 379.46 5
Lo Low (pH 4.5-6) 3.24 9.93 -40.45 1 6 1 58 380.468 5

Activity (Go SEA)

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