UCSF

ZINC49339897

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 19 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) 1.36 6.48 -53.25 1 6 0 83 269.345 9
Hi High (pH 8-9.5) 1.36 4.54 -50.54 0 6 -1 82 268.337 9

Activity (Go SEA)

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