UCSF

ZINC32255451

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2009 13 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) 4.80 8.18 -3.28 0 0 0 0 229.131 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5175167 IBM Patent Data

Activity (Go SEA)

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