UCSF

ZINC34538686

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 35 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) 3.01 10.34 -53.36 1 8 1 81 479.553 8
Hi High (pH 8-9.5) 3.01 8.09 -9.93 0 8 0 79 478.545 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1997022606A1 IBM Patent Data

Activity (Go SEA)

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