UCSF

ZINC38795658

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2010 29 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) 2.29 13.8 -13.69 0 5 0 61 384.435 5
Lo Low (pH 4.5-6) 2.29 14.25 -50.42 1 5 1 62 385.443 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4959363 IBM Patent Data

Activity (Go SEA)

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