UCSF

ZINC43402180

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 0.79 2.23 -94.8 4 6 2 74 281.404 5
Hi High (pH 8-9.5) 0.79 -0.02 -42.51 3 6 1 73 280.396 5
Hi High (pH 8-9.5) 0.79 -0.26 -6.29 2 6 0 71 279.388 5
Mid Mid (pH 6-8) 0.79 2.27 -102.34 4 6 2 74 281.404 5

Activity (Go SEA)

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