UCSF

ZINC37469629

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 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) 1.08 4.53 -89.92 3 3 2 24 215.385 6
Hi High (pH 8-9.5) 1.08 2.06 -38.21 2 3 1 23 214.377 6

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5618814 IBM Patent Data

Activity (Go SEA)

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