UCSF

ZINC40076824

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 30 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) 4.66 11.13 -56.6 0 6 -1 87 426.876 8
Lo Low (pH 4.5-6) 4.66 10.38 -15.54 1 6 0 84 427.884 8

Activity (Go SEA)

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