UCSF

ZINC13123209

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 36 No

Popular Name: 4-[(Z)-hydroxy-[(2R)-1-(3-morpholinopropyl)-4,5-dioxo-2-(4-pyridyl)pyrrolidin-3-ylidene]methyl]-N,N- 4-[(Z)-hydroxy-[(2R)-1-(3-morpho…

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) 0.55 4.18 -59.95 0 10 -1 123 513.596 9 ↓
Mid Mid (pH 6-8) 0.55 6.51 -82.19 1 10 0 124 514.604 9 ↓
Lo Low (pH 4.5-6) 0.99 6.72 -109.73 3 10 2 123 516.62 8 ↓

Activity (Go SEA)

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