UCSF

ZINC39295225

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 24 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) 2.18 9.01 -14.73 0 4 0 47 315.376 2
Mid Mid (pH 6-8) 2.18 9.94 -34.71 1 4 1 49 316.384 2
Lo Low (pH 4.5-6) 2.18 10.4 -92.18 2 4 2 50 317.392 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4280957; US4307237; US4347364; US4347365; US4349475; US4349476; US4349477; US4368157; US4368158; US4368159; US4371468; US4376074; US4376075; US4377523; US4390471; US4401597; US4425272; US4440685 IBM Patent Data

Activity (Go SEA)

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