UCSF

ZINC34591035

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 27 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) 4.04 9.65 -53.52 3 4 1 58 387.931 4
Hi High (pH 8-9.5) 4.04 7.35 -12.75 2 4 0 56 386.923 4

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% )