UCSF

ZINC34360175

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 14 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) 1.66 6.93 -46.34 0 3 -1 53 192.238 5
Lo Low (pH 4.5-6) 1.66 7.39 -63.41 1 3 0 54 193.246 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0298466A2; US4786646; US4788206; US4916145; US4927826; US4927838; US4975438 IBM Patent Data

Activity (Go SEA)

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