UCSF

ZINC67956291

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 25 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) -1.36 3.33 -70.62 4 8 1 114 350.443 5
Hi High (pH 8-9.5) -0.91 1.75 -65.23 2 8 -1 115 348.427 5
Mid Mid (pH 6-8) -0.91 2.03 -100.42 3 8 0 117 349.435 5

Activity (Go SEA)

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

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