UCSF

ZINC32769577

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2009 11 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) 1.51 3.88 -8.9 1 2 0 29 155.241 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0392317A2; EP0392317B1; EP0470543A1; US5541229; US5864043 IBM Patent Data

Activity (Go SEA)

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