UCSF

ZINC31962869

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 19 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) 0.23 0.55 -55.2 4 6 1 82 265.337 3
Hi High (pH 8-9.5) 0.23 0.17 -12.56 3 6 0 80 264.329 3
Mid Mid (pH 6-8) 0.23 0.85 -101.51 5 6 2 83 266.345 3

Activity (Go SEA)

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