UCSF

ZINC43904167

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 3.41 9.36 -118.33 3 3 2 30 278.44 7
Hi High (pH 8-9.5) 3.41 7.79 -37.15 2 3 1 29 277.432 7
Mid Mid (pH 6-8) 3.41 8.23 -31.62 2 3 1 26 277.432 7

Activity (Go SEA)

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