UCSF

ZINC34580448

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 21 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) 1.36 4.1 -56.58 3 5 1 64 293.387 5
Mid Mid (pH 6-8) 1.36 2.75 -12.88 2 5 0 60 292.379 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000009132A1 IBM Patent Data

Activity (Go SEA)

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