UCSF

ZINC34624291

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 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) 2.98 6.95 -10.46 0 4 0 48 284.311 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0839145A1; US5935973; WO1997003071A1 IBM Patent Data

Activity (Go SEA)

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