UCSF

ZINC62537008

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 17 Yes

Popular Name: (2S)-2-(cyclopropylamino)-4-(3,5-dimethyl-1,2,4-triazol-1-yl)butanamide (2S)-2-(cyclopropylamino)-4-(3,5…

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) -0.66 2.52 -48.58 4 6 1 90 238.315 6 ↓
Hi High (pH 8-9.5) -0.66 1.61 -14.99 3 6 0 86 237.307 6 ↓

Activity (Go SEA)

Rings

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

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