UCSF

ZINC69134317

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 19 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) -0.07 5.04 -42.31 4 7 1 88 266.373 3
Hi High (pH 8-9.5) -0.07 4 -6.93 3 7 0 83 265.365 3
Lo Low (pH 4.5-6) -0.07 5.73 -80.6 5 7 2 89 267.381 3
Lo Low (pH 4.5-6) -0.07 5.85 -81.73 5 7 2 89 267.381 3

Activity (Go SEA)

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

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