UCSF

ZINC06069517

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2006 18 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) -1.42 -6.47 -13.81 3 7 0 104 260.221 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0010205A1; EP0222192A2; EP0285432A2; EP0285432B1; EP1027365A2; US4211773; US4594339; US4762823; US4851519; US5010060; US5175274; US5430026; US5446045; US5840743; US5879661; US5994321; WO1997007829A1; WO1999044646A1 IBM Patent Data

Activity (Go SEA)

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