UCSF

ZINC43463526

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 24 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) 4.29 6.4 -9.83 2 4 0 57 346.234 4
Hi High (pH 8-9.5) 4.29 6.29 -36.13 1 4 -1 56 345.226 4
Hi High (pH 8-9.5) 4.29 6.31 -41.23 1 4 -1 56 345.226 4
Mid Mid (pH 6-8) 4.29 6.45 -8.47 2 4 0 57 346.234 4
Mid Mid (pH 6-8) 4.29 6.43 -8.08 2 4 0 57 346.234 4

Activity (Go SEA)

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