UCSF

ZINC11888741

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2008 11 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) -1.02 2.03 -43.69 1 4 -1 69 158.177 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US3950542; US3976781; US4035492; US4139635; WO1999024433A1 IBM Patent Data

Activity (Go SEA)

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