UCSF

ZINC08234229

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2006 30 No

CAS Number: 512-06-1

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) 5.93 -1.45 -3.5 1 3 0 38 414.63 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0162330A1; EP0162330B1; EP1011630A1; US4260603; US4265886; US5958770; US6153208; WO1991010743A1; WO1995030341A1; WO1997023234A1; WO1999013861A1; WO1999055303A1 IBM Patent Data

Activity (Go SEA)

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