UCSF

ZINC32142758

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 15 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) 1.72 5.79 -42.39 3 3 1 54 208.281 6
Mid Mid (pH 6-8) 1.72 5.44 -4.93 2 3 0 52 207.273 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4883900 IBM Patent Data

Activity (Go SEA)

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