UCSF

ZINC69891947

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) -0.20 -0.01 -46.34 3 4 1 49 215.317 2
Hi High (pH 8-9.5) -0.20 0.08 -3.14 2 4 0 48 214.309 2
Lo Low (pH 4.5-6) -0.20 1.66 -119.43 4 4 2 51 216.325 2

Activity (Go SEA)

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

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