UCSF

ZINC11638562

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2008 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) 1.85 -1.7 -9.2 1 3 0 41 213.321 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4873252; US4946850 IBM Patent Data

Activity (Go SEA)

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