UCSF

ZINC31917193

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 21 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) -1.29 3.64 -105.17 4 6 2 71 295.383 6
Hi High (pH 8-9.5) -1.29 3.31 -38.65 3 6 1 69 294.375 6
Hi High (pH 8-9.5) -1.29 1.1 -55.19 3 6 1 70 294.375 6
Hi High (pH 8-9.5) -1.29 0.77 -8.14 2 6 0 68 293.367 6

Activity (Go SEA)

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