UCSF

ZINC71166831

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2011 17 Yes

Other Names:

MFCD19467362

N/A

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) 3.71 6.65 -39.25 0 3 -1 40 263.107 1
Mid Mid (pH 6-8) 3.71 6.87 -9.05 1 3 0 42 264.115 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4904785 IBM Patent Data

Activity (Go SEA)

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