UCSF

ZINC48579407

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 19 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) 2.61 5.22 -15.59 2 5 0 76 265.309 6
Hi High (pH 8-9.5) 2.61 6.23 -61.51 1 5 -1 78 264.301 6

Activity (Go SEA)

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