UCSF

ZINC34421359

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 23 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) 1.62 10.64 -44.45 1 5 0 65 322.38 6
Hi High (pH 8-9.5) 1.62 8.39 -50.53 0 5 -1 64 321.372 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5019583; US5466700 IBM Patent Data

Activity (Go SEA)

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