UCSF

ZINC04290542

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 13 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) 2.80 4.61 -7.85 1 2 0 33 256.124 1
Hi High (pH 8-9.5) 3.26 3.69 -35.48 0 2 -1 36 255.116 1

Vendor Notes

Note Type Comments Provided By
MP 248-252° Oakwood Chemical

Activity (Go SEA)

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