UCSF

ZINC66887651

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 2nd, 2011 23 No

Popular Name: 2-[(Z)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyliminomethyl]-4-nitro-phenol 2-[(Z)-2-(6,7-dihydro-4H-thieno[…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.94 7.66 -18.61 1 6 0 86 331.397 5 ↓
Hi High (pH 8-9.5) 2.94 5.08 -34.52 0 6 -1 84 330.389 5 ↓
Hi High (pH 8-9.5) 2.94 6.08 -34.81 0 6 -1 84 330.389 5 ↓
Mid Mid (pH 6-8) 2.94 6.93 -39.07 1 6 0 86 331.397 5 ↓
Mid Mid (pH 6-8) 2.94 8.24 -44.47 1 6 0 86 331.397 5 ↓
Mid Mid (pH 6-8) 2.94 7.47 -46.17 2 6 1 83 332.405 5 ↓
Lo Low (pH 4.5-6) 2.94 8.33 -54.53 3 6 0 84 333.413 5 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.