UCSF

ZINC71029514

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2011 21 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) 3.66 11.13 -38.3 1 3 1 31 288.411 9
Hi High (pH 8-9.5) 3.66 9.14 -6.46 0 3 0 30 287.403 9

Activity (Go SEA)

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