UCSF

ZINC43526226

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2010 18 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) 3.30 7.71 -30.33 2 2 1 16 265.446 5
Mid Mid (pH 6-8) 3.30 8.96 -120.24 3 2 2 21 266.454 5

Activity (Go SEA)

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