UCSF

ZINC40457816

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 16 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) -0.51 -2.5 -49.07 6 5 1 97 225.268 4
Mid Mid (pH 6-8) -0.51 -2.83 -12.36 5 5 0 96 224.26 4

Activity (Go SEA)

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