UCSF

ZINC07525247

Substance Information

In ZINC since Heavy atoms Benign functionality
June 1st, 2006 25 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) 2.74 6.67 -46.28 2 6 1 71 368.523 6
Hi High (pH 8-9.5) 2.56 3.55 -44.6 0 6 -1 76 366.507 6
Hi High (pH 8-9.5) 2.56 5.83 -32.71 1 6 0 77 367.515 6

Activity (Go SEA)

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