UCSF

ZINC67789463

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2011 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) 2.53 6.16 -44.28 2 2 1 20 283.798 2
Lo Low (pH 4.5-6) 2.53 8.71 -105.08 3 2 2 21 284.806 2

Activity (Go SEA)

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