UCSF

ZINC69134304

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 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) -1.23 2.07 -38.52 6 7 1 111 238.319 2
Hi High (pH 8-9.5) -1.23 0.74 -6.5 5 7 0 106 237.311 2
Lo Low (pH 4.5-6) -1.23 2.54 -85.35 7 7 2 112 239.327 2

Activity (Go SEA)

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

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