UCSF

ZINC01766803

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 21 No

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) 2.35 -1.29 -17.08 2 4 0 61 278.311 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0934931A2; US5792783; US5834504; US5883113; US5883116; US5886020; WO1996040116A1 IBM Patent Data

Activity (Go SEA)

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