UCSF

ZINC34611970

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 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) 2.80 4.91 -6.76 1 3 0 47 202.294 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0382185A2; EP0382185B1; EP0450097A1; EP0450097B1; US4578381; US5225402; US5436254; US5559230; US5652247; US5753677; US5985869; USRE34722; WO1991005549A1; WO1994001113A1 IBM Patent Data

Activity (Go SEA)

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