UCSF

ZINC37338613

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 18 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) -0.41 1.54 -15.88 3 7 0 95 269.33 3
Lo Low (pH 4.5-6) -0.41 1.98 -42.59 4 7 1 96 270.338 3

Activity (Go SEA)

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