UCSF

ZINC34591054

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 24 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) 3.61 8.15 -44.5 3 4 1 58 333.496 4
Hi High (pH 8-9.5) 3.61 5.88 -11.97 2 4 0 56 332.488 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4260762 IBM Patent Data

Activity (Go SEA)

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