UCSF

ZINC40175257

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 29 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) 4.41 12.2 -36.11 1 5 1 47 410.925 6
Mid Mid (pH 6-8) 4.41 14.41 -89.28 2 5 2 48 411.933 6
Mid Mid (pH 6-8) 4.41 14 -40.81 1 5 1 47 410.925 6
Mid Mid (pH 6-8) 4.41 11.79 -5.73 0 5 0 46 409.917 6

Activity (Go SEA)

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