UCSF

ZINC00410146

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 11 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) 1.30 2.64 -9.24 2 2 0 43 149.193 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0000931A1; EP0000932A1; EP0207447A2; EP0811634A1; US3947413; US3974151; US4032521; US4035359; US4060687; US4064344; US4071529; US4086423; US4123528; US4135978; US4150145; US4150223; US4154845; US4162193; US4194047; US4196211; US4208330; US4215124; US421 IBM Patent Data

Activity (Go SEA)

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