UCSF

ZINC36377943

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 31 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) 3.19 5.98 -16.89 2 6 0 93 430.541 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0875516A3; EP0994119A1; WO2000053188A1 IBM Patent Data

Activity (Go SEA)

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