UCSF

ZINC16570713

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 30 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) 4.54 10.55 -11.26 1 5 0 60 441.293 5
Lo Low (pH 4.5-6) 4.54 10.83 -47.69 2 5 1 61 442.301 5

Activity (Go SEA)

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