UCSF

ZINC62846951

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2011 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) 0.10 4.57 -81.33 3 6 0 91 283.372 2
Hi High (pH 8-9.5) 0.10 4.25 -50.88 2 6 -1 90 282.364 2

Activity (Go SEA)

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