UCSF

ZINC43411152

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) -0.03 4.22 -102.09 4 4 2 49 219.373 7
Hi High (pH 8-9.5) -0.03 -1.01 -36.49 3 4 1 43 218.365 7
Mid Mid (pH 6-8) -0.03 3.61 -187.45 5 4 3 46 220.381 7
Mid Mid (pH 6-8) -0.03 2.47 -79.16 4 4 2 41 219.373 7

Activity (Go SEA)

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