UCSF

ZINC02389628

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 19 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) 0.82 1 -45.65 5 5 1 86 267.349 9
Hi High (pH 8-9.5) 0.82 0.61 -9.85 4 5 0 85 266.341 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0885888A1 IBM Patent Data

Activity (Go SEA)

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