UCSF

ZINC14719345

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2008 25 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) 3.69 7.03 -5.56 1 4 0 42 336.435 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0021923A1; EP0050562A1; EP0098234A2; EP0378921A2; EP0491549A1; EP0491549B1; US3892755; US3979395; US4145552; US4152519; US4285949; US4316029; US4400249; US4569914; US5030573; US5204355; WO1988000968A2; WO2000007437A1 IBM Patent Data

Activity (Go SEA)

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