UCSF

ZINC36156454

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 12 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) 2.27 4.98 -4.33 1 1 0 20 184.666 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0226641A1; EP0885891A1; US4713381; US6005116 IBM Patent Data

Activity (Go SEA)

Rings

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