UCSF

ZINC59772799

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2011 21 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) 7.08 12.69 -0.69 0 1 0 9 294.523 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0216880A1; US4943384 IBM Patent Data

Activity (Go SEA)

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