UCSF

ZINC34463534

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 28 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) 4.38 11.85 -54.39 1 4 -1 65 371.391 4
Lo Low (pH 4.5-6) 4.38 12.06 -47.19 2 4 0 66 372.399 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4968702 IBM Patent Data

Activity (Go SEA)

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