UCSF

ZINC28913109

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2009 34 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) 3.70 11.36 -15.06 2 8 0 107 459.502 10
Lo Low (pH 4.5-6) 3.70 11.69 -42.98 3 8 1 108 460.51 10

Activity (Go SEA)

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