UCSF

ZINC27518795

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2009 26 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) 0.39 7.42 -94.73 2 6 0 82 365.38 5
Mid Mid (pH 6-8) -2.35 6.32 -89.26 3 6 1 85 366.388 4

Activity (Go SEA)

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