UCSF

ZINC44699068

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 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) -2.21 -5.81 -25.22 8 11 0 186 298.259 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0112632A2; EP0260491A1; EP0260491B1; EP0327590A1; EP0374096A1; EP0374096B1; EP0570519A1; EP0570519B1; EP0586523A1; EP0755255A1; EP0771204A1; EP0948256A1; US4500524; US4539205; US4643992; US4849411; US4921858; US4923872; US4948730; US4988702; US4996319 IBM Patent Data

Activity (Go SEA)

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