UCSF

ZINC19282429

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 21 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) -0.23 7.03 -59.32 2 6 -1 98 286.311 5
Mid Mid (pH 6-8) -0.23 7.54 -69.23 3 6 0 99 287.319 5
Mid Mid (pH 6-8) -0.24 7.62 -62.59 2 6 -1 98 286.311 5

Activity (Go SEA)

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