UCSF

ZINC34463546

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 28 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) 4.81 9.21 -48.09 2 4 -1 79 399.27 4
Lo Low (pH 4.5-6) 4.81 9.59 -47.12 3 4 0 80 400.278 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4968702 IBM Patent Data

Activity (Go SEA)

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