UCSF

ZINC61824696

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 17 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) 3.08 8.61 -47 0 3 -1 57 253.705 5
Lo Low (pH 4.5-6) 3.08 6.64 -11.74 1 3 0 54 254.713 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4058529 IBM Patent Data

Activity (Go SEA)

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