UCSF

ZINC36999789

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 No

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) 0.66 0.63 -46.38 6 6 1 101 295.388 4
Mid Mid (pH 6-8) 0.66 -0.74 -12.87 5 6 0 96 294.38 4

Activity (Go SEA)

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