UCSF

ZINC64219004

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2011 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.94 7.04 -37.57 2 4 1 51 290.383 5
Hi High (pH 8-9.5) 1.94 4.84 -6.87 1 4 0 50 289.375 5

Vendor Notes

Note Type Comments Provided By
MP 108,5°C Indofine

Activity (Go SEA)

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

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