UCSF

ZINC69701334

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2011 20 No

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) -0.16 5.69 -60.33 1 6 1 69 301.436 5
Mid Mid (pH 6-8) -0.16 3.46 -18.01 0 6 0 68 300.428 5
Lo Low (pH 4.5-6) -0.16 6.12 -104.58 2 6 2 71 302.444 5

Activity (Go SEA)

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

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