UCSF

ZINC34596304

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 10 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) 0.74 -0.17 -6.06 1 3 0 39 146.186 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0302599A2; EP0388778B1; US4004911; US5232852; US5283346 IBM Patent Data

Activity (Go SEA)

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