UCSF

ZINC51404584

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.19 8.83 -35.92 2 2 1 25 292.349 6
Hi High (pH 8-9.5) 3.19 6.41 -5.76 1 2 0 23 291.341 6

Activity (Go SEA)

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