UCSF

ZINC36720323

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 13 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) 2.79 4.28 -3.01 3 2 0 38 178.279 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0111844A1; US4552699 IBM Patent Data

Activity (Go SEA)

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