UCSF

ZINC56874667

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 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) -4.99 -14.34 -125.17 12 11 2 204 367.399 4
Hi High (pH 8-9.5) -4.99 -15.1 -15.77 10 11 0 201 365.383 4
Hi High (pH 8-9.5) -4.99 -14.67 -53.71 11 11 1 202 366.391 4
Mid Mid (pH 6-8) -4.99 -14.68 -54.43 11 11 1 202 366.391 4

Vendor Notes

Note Type Comments Provided By
UniProt Database Links NEOD_STRFR; NEOL_STRFR ChEBI

Activity (Go SEA)

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

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