UCSF

ZINC34031080

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2009 20 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) 2.53 -0.07 -13.26 4 5 0 98 274.272 3
Hi High (pH 8-9.5) 2.53 0.95 -53.93 3 5 -1 101 273.264 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000066576A1 IBM Patent Data

Activity (Go SEA)

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