UCSF

ZINC38138948

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2009 18 No

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) -1.32 1.61 -20.36 3 7 0 104 268.298 2
Hi High (pH 8-9.5) -0.86 -0.44 -52.29 2 7 -1 107 267.29 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5591722 IBM Patent Data

Activity (Go SEA)

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