UCSF

ZINC43248264

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 16 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) 2.29 3.71 -38.14 3 2 1 31 239.408 3
Hi High (pH 8-9.5) 2.29 6.33 -29.95 3 2 1 30 239.408 3
Hi High (pH 8-9.5) 2.29 3.38 -1.94 2 2 0 29 238.4 3
Lo Low (pH 4.5-6) 2.29 6.66 -109.09 4 2 2 32 240.416 3

Activity (Go SEA)

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