UCSF

ZINC38221534

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2010 16 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) 1.86 5.74 -6.86 0 3 0 28 224.3 9

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0260689B1; EP0318758A2; EP0364890A2; US4830951; US4906541; US5069991 IBM Patent Data

Activity (Go SEA)

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