UCSF

ZINC32205496

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 19 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) 4.61 7.81 -7.84 0 2 0 26 249.313 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0434034A1; WO1997003973A1 IBM Patent Data
PUBCHEM_PATENT_ID WO1997003973A1 IBM Patent Data

Activity (Go SEA)

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