UCSF

ZINC03994608

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 38 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) 5.93 14.13 -43.76 4 6 1 78 509.674 8
Hi High (pH 8-9.5) 5.93 11.66 -13.08 3 6 0 77 508.666 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000073297A1 IBM Patent Data

Activity (Go SEA)

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