UCSF

ZINC39625298

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2010 13 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) -1.21 4.4 -36.68 2 5 0 83 189.211 6
Mid Mid (pH 6-8) -1.21 3.58 -53.81 1 5 -1 78 188.203 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4496542; US4558038 IBM Patent Data

Activity (Go SEA)

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