UCSF

ZINC53299155

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2010 17 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) -0.08 5.6 -98.24 3 4 2 41 259.419 3
Hi High (pH 8-9.5) -0.08 2.36 -7.23 1 4 0 36 257.403 3
Mid Mid (pH 6-8) -0.08 4.3 -40.45 2 4 1 37 258.411 3

Activity (Go SEA)

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

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