UCSF

ZINC43526227

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2010 23 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 10.84 -133.36 3 2 2 21 328.422 6
Mid Mid (pH 6-8) 4.29 9.59 -34.23 2 2 1 16 327.414 6
Mid Mid (pH 6-8) 4.29 8.76 -47.27 2 2 1 20 327.414 6

Activity (Go SEA)

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