UCSF

ZINC34090566

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2009 9 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) 0.83 2.32 -29.89 2 2 1 25 132.227 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0637298A1; EP0637298B1; EP0641321A1; US5602074; US5817603 IBM Patent Data

Activity (Go SEA)

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