UCSF

ZINC34947838

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 31 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) 4.55 15.97 -37.76 1 4 1 38 424.653 11
Lo Low (pH 4.5-6) 4.55 16.26 -82.25 2 4 2 39 425.661 11

Activity (Go SEA)

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