UCSF

ZINC34426969

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 16 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) 1.07 3.48 -30.99 4 3 1 52 214.292 4
Hi High (pH 8-9.5) 1.07 3.02 -5.01 3 3 0 51 213.284 4
Mid Mid (pH 6-8) 1.07 4.93 -104.68 5 3 2 57 215.3 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5059602; US5095019 IBM Patent Data

Activity (Go SEA)

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