UCSF

ZINC43710277

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 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) -0.30 2.98 -50.68 3 5 1 66 265.333 5
Hi High (pH 8-9.5) -0.30 1.61 -14.54 2 5 0 62 264.325 5

Activity (Go SEA)

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