UCSF

ZINC69898125

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 15 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) 0.61 -0.24 -42.6 3 6 0 90 211.269 3
Hi High (pH 8-9.5) 0.61 0.22 -35.12 2 6 -1 88 210.261 3
Lo Low (pH 4.5-6) 0.61 -0.24 -46.16 4 6 1 91 212.277 3

Activity (Go SEA)

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

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