UCSF

ZINC69820062

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 22 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) 3.36 8.6 -58.35 1 5 -1 86 293.302 3
Hi High (pH 8-9.5) 3.82 6.23 -107.46 0 5 -2 89 292.294 3

Activity (Go SEA)

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

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