UCSF

ZINC23352663

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 9 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) 0.53 1.88 -34.52 2 2 1 20 131.243 5
Hi High (pH 8-9.5) 0.53 2.84 -30.77 2 2 1 16 131.243 5
Mid Mid (pH 6-8) 0.53 4.21 -103.52 3 2 2 21 132.251 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID WO2000050406A1 IBM Patent Data

Activity (Go SEA)

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