UCSF

ZINC13127639

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 23 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) 3.68 9.09 -13.75 1 4 0 43 298.349 1
Mid Mid (pH 6-8) 3.86 9.63 -81.75 3 4 2 49 300.365 1
Lo Low (pH 4.5-6) 3.68 9.53 -23.44 2 4 1 44 299.357 1

Activity (Go SEA)

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