UCSF

ZINC37372071

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 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) 1.73 3.97 -38.19 3 4 1 43 298.838 6
Hi High (pH 8-9.5) 1.73 2.54 -3.89 2 4 0 39 297.83 6
Mid Mid (pH 6-8) 1.73 6.24 -101.6 4 4 2 45 299.846 6

Activity (Go SEA)

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