UCSF

ZINC77863141

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2012 19 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) 1.17 4.32 -48.96 4 4 1 70 262.377 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0370498A2; US4997834 IBM Patent Data

Activity (Go SEA)

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