UCSF

ZINC40110207

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 38 No

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) 5.06 10.33 -65.58 1 7 -1 99 518.561 12
Lo Low (pH 4.5-6) 5.06 9.58 -18.65 2 7 0 96 519.569 12

Activity (Go SEA)

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