UCSF

ZINC43253100

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 20 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.38 5.1 -44.97 3 3 1 40 317.906 6
Hi High (pH 8-9.5) 2.38 4.8 -2.72 2 3 0 38 316.898 6
Lo Low (pH 4.5-6) 2.38 7.62 -120.91 4 3 2 41 318.914 6

Activity (Go SEA)

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