UCSF

ZINC03036412

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 27 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) 5.06 11.43 -12.55 1 3 0 42 352.437 5
Mid Mid (pH 6-8) 5.13 9.78 -41.17 2 3 1 47 353.445 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0112776A2; US4684652; US4711890 IBM Patent Data

Activity (Go SEA)

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