UCSF

ZINC00002927

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 21 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) 4.09 0.79 -9.49 2 3 0 52 282.318 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0248399A1; US4914112; US5066666; US5180731 IBM Patent Data
PUBCHEM_PATENT_ID US6100260; WO1998047880A1 IBM Patent Data

Activity (Go SEA)

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