UCSF

ZINC32819332

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 2.94 7.24 -35.55 1 2 1 8 225.743 2
Mid Mid (pH 6-8) 2.94 4.87 -2.74 0 2 0 6 224.735 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4950648 IBM Patent Data

Activity (Go SEA)

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