UCSF

ZINC38522503

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 5 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) -0.31 0.79 -38.09 3 1 0 28 70.115 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0353752A1; EP0353752B1; US3954865; US4551550; US4851447; US4935449 IBM Patent Data

Activity (Go SEA)

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