UCSF

ZINC36872505

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) -0.14 3.29 -45.33 4 3 1 56 208.31 3
Hi High (pH 8-9.5) -0.14 2.97 -7.5 3 3 0 55 207.302 3
Hi High (pH 8-9.5) -0.14 2.94 -5.39 3 3 0 55 207.302 3
Lo Low (pH 4.5-6) -0.14 3.89 -111.58 5 3 2 58 209.318 3
Lo Low (pH 4.5-6) -0.14 3.89 -113.68 5 3 2 58 209.318 3

Activity (Go SEA)

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