UCSF

ZINC34962045

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 28 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) 7.65 12.69 -1.97 1 1 0 20 384.648 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0636139B1 IBM Patent Data

Activity (Go SEA)

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