UCSF

ZINC04559941

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2005 19 No

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) 2.51 7.36 -15.22 1 6 0 88 277.305 4
Hi High (pH 8-9.5) 2.69 6.09 -33.16 0 6 -1 94 276.297 4

Activity (Go SEA)

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