UCSF

ZINC01600260

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 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) 6.66 2.88 -4.5 0 2 0 6 338.539 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0239868A1; US4139390; US4251619; US4306014; US4315068; US4332884; US4857438 IBM Patent Data

Activity (Go SEA)

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