UCSF

ZINC34891859

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 25 No

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) 4.93 6.19 -9.11 1 8 0 106 356.773 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0817775A1; US5747498; WO1996030347A1 IBM Patent Data

Activity (Go SEA)

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