UCSF

ZINC34385587

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 26 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) 3.77 9.73 -13.58 1 3 0 54 358.522 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0001851A1; US4212863 IBM Patent Data

Activity (Go SEA)

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