UCSF

ZINC33753243

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 22 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) -0.86 7.86 -118.52 3 5 0 90 322.361 5
Hi High (pH 8-9.5) -0.86 7.46 -65.6 2 5 -1 88 321.353 5
Mid Mid (pH 6-8) -0.86 5.85 -73.56 4 5 1 87 323.369 5

Activity (Go SEA)

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