UCSF

ZINC49805816

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2010 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) 0.65 3.63 -6.32 2 3 0 52 183.182 3
Mid Mid (pH 6-8) 0.65 3.95 -46.43 3 3 1 54 184.19 3

Vendor Notes

Note Type Comments Provided By
MP 253-255 °C (dec.)(lit.) Indofine

Activity (Go SEA)

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

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