UCSF

ZINC39347967

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2010 20 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) 4.66 11.44 -33.89 1 2 1 22 274.428 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US3995047; US4181803; US4277474; US4563454 IBM Patent Data

Activity (Go SEA)

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