UCSF

ZINC05730897

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 23 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) 1.36 7.46 -54.39 1 5 -1 74 307.329 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0059698A1; EP0516725B1; EP0522001B1; EP0634931A1; EP0682663A1; EP0751772A1; US4547511; US4738971; US5504092; US5580882; US5594005; US5686486; US5691350; US5726183; US5728713; US5776947; US5852195; WO1991012804A1; WO1991014432A1; WO1993006829A1; WO199301 IBM Patent Data

Activity (Go SEA)

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