UCSF

ZINC34935739

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 36 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) 5.75 16.89 -13.51 0 4 0 42 472.588 9
Lo Low (pH 4.5-6) 5.75 17.23 -46.76 1 4 1 44 473.596 9

Activity (Go SEA)

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