UCSF

ZINC43411488

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 15 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) 0.31 3.95 -32.19 2 4 1 37 216.349 6
Hi High (pH 8-9.5) 0.31 3.34 -38.88 2 4 1 40 216.349 6
Lo Low (pH 4.5-6) 0.31 5.33 -108.87 3 4 2 41 217.357 6

Activity (Go SEA)

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