UCSF

ZINC30424176

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 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) 0.38 0.73 -54.42 3 6 1 80 278.398 6
Hi High (pH 8-9.5) 0.38 0.35 -52.95 2 6 0 82 277.39 6
Hi High (pH 8-9.5) 0.38 -1.48 -18.75 2 6 0 79 277.39 6

Activity (Go SEA)

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