UCSF

ZINC71746330

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2011 27 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) 7.11 15.69 -12.14 0 2 0 22 355.481 6

Activity (Go SEA)

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