UCSF

ZINC13115484

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 22 No

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) 2.82 8.36 -15.11 1 4 0 47 293.37 6
Lo Low (pH 4.5-6) 2.82 8.63 -35.74 2 4 1 48 294.378 6

Activity (Go SEA)

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