UCSF

ZINC59979299

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 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) 1.34 2.54 -18.62 2 6 0 93 268.265 7
Mid Mid (pH 6-8) 1.34 3.54 -52.46 1 6 -1 96 267.257 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0548224A1; EP0548224B1; US5283359 IBM Patent Data

Activity (Go SEA)

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