UCSF

ZINC04063366

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 22 No

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) 2.34 8.69 -15 0 3 0 51 300.398 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0104489A1; US4139617; US4495102 IBM Patent Data

Activity (Go SEA)

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