UCSF

ZINC56874893

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 33 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) -5.54 -21.66 -202.04 17 15 3 282 488.511 6
Hi High (pH 8-9.5) -5.54 -22.38 -47.99 15 15 1 278 486.495 6
Hi High (pH 8-9.5) -5.54 -22.63 -13.42 14 15 0 277 485.487 6
Hi High (pH 8-9.5) -5.54 -22.2 -58.64 15 15 1 278 486.495 6
Mid Mid (pH 6-8) -5.54 -22.04 -128.34 16 15 2 280 487.503 6

Activity (Go SEA)

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

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