UCSF

ZINC19276785

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 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) 2.44 6.52 -125.02 4 3 2 41 286.366 5
Hi High (pH 8-9.5) 2.44 4.7 -48.45 3 3 1 40 285.358 5
Hi High (pH 8-9.5) 2.44 6.43 -32.28 3 3 1 40 285.358 5

Activity (Go SEA)

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