UCSF

ZINC49513062

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2010 35 No

Popular Name: N-[(2S)-2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-N'-(oxoBLAHyl)oxamide N-[(2S)-2-(azepan-1-yl)-2-(1-met…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.20 10.81 -44.79 3 8 1 88 478.617 6 ↓
Hi High (pH 8-9.5) 2.20 9.18 -12.3 2 8 0 87 477.609 6 ↓
Hi High (pH 8-9.5) 2.38 9.32 -41.61 2 8 0 94 477.609 6 ↓

Activity (Go SEA)

Rings

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

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