UCSF

ZINC08205016

Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2006 10 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) 2.42 -0.14 -36.19 2 1 1 16 142.266 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0392317A2; EP0392317B1; EP0470543A1; EP0870765A1; US5541229; US5864043; US5981557 IBM Patent Data

Activity (Go SEA)

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