UCSF

ZINC23199766

Substance Information

In ZINC since Heavy atoms Benign functionality
December 27th, 2008 25 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) 1.17 3.43 -18.15 1 7 0 88 365.455 6
Hi High (pH 8-9.5) 1.17 2.47 -44.42 0 7 -1 90 364.447 6

Activity (Go SEA)

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