UCSF

ZINC40117540

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 24 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) 4.23 6.82 -42.43 1 4 -1 69 426.073 3
Lo Low (pH 4.5-6) 4.23 6.05 -8.55 2 4 0 66 427.081 3

Activity (Go SEA)

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