UCSF

ZINC17991767

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 27 No

Popular Name: (5S,6Z)-6-(hydroxy-methoxy-methylene)-7-methyl-2-methylsulfanyl-5-(3-nitrophenyl)-1,5-dihydropyrido[ (5S,6Z)-6-(hydroxy-methoxy-methy…

Find On: PubMed — Wikipedia — Google

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) 2.93 5.57 -103.67 0 9 -2 139 386.389 4 ↓
Mid Mid (pH 6-8) 2.48 6.9 -50.52 1 9 -1 136 387.397 4 ↓
Mid Mid (pH 6-8) 2.48 7.43 -46.4 1 9 -1 136 387.397 4 ↓
Mid Mid (pH 6-8) 2.48 7.42 -38.78 1 9 -1 136 387.397 4 ↓
Mid Mid (pH 6-8) 2.48 6.89 -41.13 1 9 -1 136 387.397 4 ↓
Lo Low (pH 4.5-6) 3.23 8.57 -22.33 2 9 0 130 388.405 5 ↓

Activity (Go SEA)

Rings

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