UCSF

ZINC43708398

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 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) -0.61 0.02 -61.18 5 6 1 98 286.258 3
Hi High (pH 8-9.5) -0.61 -1.33 -13.3 4 6 0 93 285.25 3

Activity (Go SEA)

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