UCSF

ZINC34590977

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 21 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) 3.42 10.23 -41.09 2 3 1 37 287.427 3
Hi High (pH 8-9.5) 3.42 7.98 -9.9 1 3 0 36 286.419 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4260762; US4349678; US4442291 IBM Patent Data

Activity (Go SEA)

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