UCSF

ZINC39376388

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 21 No

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) 2.97 7.19 -13.57 1 7 0 101 285.259 4
Lo Low (pH 4.5-6) 2.97 7.64 -45.68 2 7 1 102 286.267 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0030254A1; EP0823909A1; US4371536; US5010077; US5834482 IBM Patent Data

Activity (Go SEA)

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