UCSF

ZINC34030337

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2009 26 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) 3.57 11.14 -83.67 2 5 2 44 358.482 10
Hi High (pH 8-9.5) 3.57 6.06 -8.4 0 5 0 42 356.466 10
Hi High (pH 8-9.5) 3.57 8.68 -42.47 1 5 1 43 357.474 10

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000008001A1 IBM Patent Data

Activity (Go SEA)

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