UCSF

ZINC12519514

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 16 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) 2.50 3.81 -9.46 2 4 0 58 217.272 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0220746A2; EP0220746B1; EP0393721A2; EP0393721B1; EP1037106A1; US4740453; US4783396; US4820622; US4840887; US4886736; US4891304; US4939066; US4994363; US5073473; US5075208; US5147754; US5190846; US5190852; USH817; USH963 IBM Patent Data
PUBCHEM_PATENT_ID US4950764 IBM Patent Data

Activity (Go SEA)

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