UCSF

ZINC13099041

Substance Information

In ZINC since Heavy atoms Benign functionality
May 28th, 2008 24 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) 2.68 7.95 -10.27 1 3 0 46 312.372 3
Lo Low (pH 4.5-6) 2.68 8.52 -80.6 3 3 2 49 314.388 3
Lo Low (pH 4.5-6) 2.68 8.24 -42.45 2 3 1 47 313.38 3
Lo Low (pH 4.5-6) 2.68 8.23 -41.1 2 3 1 47 313.38 3

Activity (Go SEA)

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