UCSF

ZINC34628909

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 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) 1.47 4.85 -35.75 2 3 1 43 172.248 3
Mid Mid (pH 6-8) 1.47 3.57 -4.02 1 3 0 38 171.24 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5494919 IBM Patent Data

Activity (Go SEA)

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