UCSF

ZINC01665716

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 14 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) 0.26 4.29 -44.57 1 4 -1 69 200.258 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0549352A2; EP0549352A3; EP0549352B1 IBM Patent Data
PUBCHEM_PATENT_ID EP0994881A1; WO1999001459A1 IBM Patent Data

Activity (Go SEA)

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