UCSF

ZINC43461484

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 21 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) 2.27 8.08 -93.26 3 4 2 34 297.418 7
Hi High (pH 8-9.5) 2.27 5.91 -39.66 2 4 1 32 296.41 7
Hi High (pH 8-9.5) 2.27 4.53 -3.41 1 4 0 28 295.402 7

Activity (Go SEA)

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