UCSF

ZINC50107286

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.04 5.98 -34.77 3 4 1 62 355.281 4
Hi High (pH 8-9.5) 4.04 4.79 -8.7 2 4 0 57 354.273 4
Hi High (pH 8-9.5) 3.30 5.5 -33.99 2 4 0 65 354.273 5
Hi High (pH 8-9.5) 3.30 4.25 -38.29 1 4 -1 60 353.265 5

Activity (Go SEA)

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