UCSF

ZINC26591805

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2009 26 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) 3.33 10.35 -11.87 0 5 0 41 366.49 4
Lo Low (pH 4.5-6) 3.33 10.69 -37.86 1 5 1 42 367.498 4

Activity (Go SEA)

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