UCSF

ZINC71575359

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 25 Yes

Popular Name: 7-[(2S)-2-amino-3,3-dimethyl-butanoyl]-2-(2-pyridyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one 7-[(2S)-2-amino-3,3-dimethyl-but…

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 3.98 -52.93 4 7 1 107 342.423 3 ↓
Hi High (pH 8-9.5) 1.00 1.67 -51.34 2 7 -1 108 340.407 3 ↓
Mid Mid (pH 6-8) 0.55 3.68 -13.67 3 7 0 105 341.415 3 ↓

Activity (Go SEA)

Rings

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

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