UCSF

ZINC62946340

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 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) 1.29 0.89 -61.13 3 7 -1 123 273.224 3
Hi High (pH 8-9.5) 1.29 1.9 -122.31 2 7 -2 125 272.216 3

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.