UCSF

ZINC36876301

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 14 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) -0.38 1.77 -50.51 4 4 1 69 189.242 3
Lo Low (pH 4.5-6) -0.38 2.22 -112.17 5 4 2 70 190.25 3
Lo Low (pH 4.5-6) -0.38 2.19 -111.91 5 4 2 70 190.25 3

Activity (Go SEA)

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