UCSF

ZINC32266671

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2009 20 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) 3.94 9.8 -7.29 0 2 0 34 262.308 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0523289A1; US5200513; US5594158 IBM Patent Data

Activity (Go SEA)

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