UCSF

ZINC04556988

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2005 18 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) -2.43 -7.03 -19.3 3 8 0 113 258.23 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0238672A1; US4900407 IBM Patent Data

Activity (Go SEA)

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