UCSF

ZINC21540075

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 30 Yes

Popular Name: (3S)-2,3-dimethyl-1-oxo-N-[2-oxo-2-(3-pyridylmethylamino)ethyl]-4H-pyrazino[4,5-a]indole-3-carboxami (3S)-2,3-dimethyl-1-oxo-N-[2-oxo…

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) 1.08 5.68 -18.23 2 8 0 96 405.458 5 ↓
Lo Low (pH 4.5-6) 1.08 6.11 -50.68 3 8 1 98 406.466 5 ↓

Activity (Go SEA)

Rings

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

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