UCSF

ZINC37001838

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) 1.24 4.55 -50.36 1 6 -1 96 300.356 9
Hi High (pH 8-9.5) 1.24 4.62 -100.77 0 6 -2 98 299.348 9

Activity (Go SEA)

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