UCSF

ZINC09443586

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 27 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) 5.01 -4.97 -13.88 2 5 0 75 465.756 5
Hi High (pH 8-9.5) 5.01 -4.4 -48.07 1 5 -1 77 464.748 5

Activity (Go SEA)

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