UCSF

ZINC43430424

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 0.82 9.17 -52.6 2 4 0 57 290.407 6
Hi High (pH 8-9.5) 0.82 7.66 -34.98 2 4 0 60 290.407 6
Mid Mid (pH 6-8) 0.82 9.88 -81.16 3 4 1 61 291.415 6

Activity (Go SEA)

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