UCSF

ZINC39282635

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 23 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) 4.18 7.29 -3.59 1 3 0 33 319.489 5
Mid Mid (pH 6-8) 4.18 8.82 -36.47 2 3 1 34 320.497 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4721786 IBM Patent Data

Activity (Go SEA)

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