UCSF

ZINC43240469

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 2.81 8.57 -122.14 4 2 2 32 294.439 5
Hi High (pH 8-9.5) 2.81 6.12 -3.17 2 2 0 29 292.423 5
Mid Mid (pH 6-8) 2.81 6.44 -48.25 3 2 1 31 293.431 5

Activity (Go SEA)

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