UCSF

ZINC37631768

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2009 15 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) 2.23 7.57 -52.44 0 3 -1 57 205.233 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4975249; US5082588; US5354496; US5354499; US5443753; US5595683; US5833877; US6126855 IBM Patent Data

Activity (Go SEA)

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