UCSF

ZINC34364875

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 12 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) 0.19 2.14 -122.5 6 2 2 55 166.268 3
Mid Mid (pH 6-8) 0.19 1.89 -39.41 5 2 1 54 165.26 3
Mid Mid (pH 6-8) 0.19 1.85 -43.72 5 2 1 54 165.26 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0171276A2; EP0171276B1; US4605513 IBM Patent Data

Activity (Go SEA)

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