UCSF

ZINC26267661

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 28 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) 4.10 11.18 -15.39 1 5 0 66 440.341 4
Hi High (pH 8-9.5) 4.56 10.06 -48.98 0 5 -1 69 439.333 4

Activity (Go SEA)

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