UCSF

ZINC37878337

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 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) -0.09 4.38 -104.39 4 4 2 49 219.373 9
Hi High (pH 8-9.5) -0.09 1.75 -100 4 4 2 45 219.373 9
Hi High (pH 8-9.5) -0.09 -0.08 -32.67 3 4 1 40 218.365 9
Hi High (pH 8-9.5) -0.09 0.25 -34.11 3 4 1 40 218.365 9
Hi High (pH 8-9.5) -0.09 -0.84 -39.23 3 4 1 43 218.365 9
Mid Mid (pH 6-8) -0.09 2.42 -78.36 4 4 2 41 219.373 9
Mid Mid (pH 6-8) -0.09 3.82 -186.42 5 4 3 46 220.381 9

Activity (Go SEA)

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