UCSF

ZINC26416714

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 18 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) 0.47 1.55 -18.16 1 6 0 67 288.398 5
Hi High (pH 8-9.5) 0.99 0.47 -41.76 0 6 -1 74 287.39 5

Activity (Go SEA)

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