UCSF

ZINC43799217

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 17 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) -0.46 3.41 -58.66 2 6 1 72 245.299 5
Hi High (pH 8-9.5) -0.46 2.06 -15.13 1 6 0 68 244.291 5

Activity (Go SEA)

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