UCSF

ZINC32233965

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.07 8.48 -5.83 0 1 0 17 212.292 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0308943A2; EP0532190A3; EP0532190B1; EP0591583A1; US4883822; US5239075; US5334767; US5356935; US5495021; US5541190; US5670512; US5710163 IBM Patent Data

Activity (Go SEA)

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