UCSF

ZINC34347924

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2009 28 No

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) 3.03 10.33 -53.18 1 7 -1 99 395.52 12
Mid Mid (pH 6-8) 3.03 11.43 -35.13 2 7 0 103 396.528 12

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5043346 IBM Patent Data

Activity (Go SEA)

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