UCSF

ZINC59743490

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2011 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) 6.67 17.3 -36.2 1 2 1 19 367.516 5
Mid Mid (pH 6-8) 6.67 16.35 -7.27 0 2 0 18 366.508 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4243670 IBM Patent Data

Activity (Go SEA)

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