UCSF

ZINC36139805

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 39 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) 5.86 14.57 -51.91 1 8 0 111 555.672 11

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO1995030670A2 IBM Patent Data

Activity (Go SEA)

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