UCSF

ZINC34320660

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 30 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) 4.64 10.83 -53.15 2 5 1 50 430.569 7

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4861785; US5010198 IBM Patent Data

Activity (Go SEA)

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