UCSF

ZINC32132007

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 24 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) 6.11 13.08 -6.31 0 1 0 9 312.412 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0251786A2; EP0251786B1; US5047519; US5151507 IBM Patent Data

Activity (Go SEA)

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