UCSF

ZINC49509074

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2010 21 Yes

Popular Name: 1-[(1R)-1-methyl-2-morpholino-ethyl]benzotriazole-5-carboxylic 1-[(1R)-1-methyl-2-morpholino-et…

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) 1.48 3.86 -47.58 0 7 -1 83 289.315 4 ↓
Mid Mid (pH 6-8) 1.48 6.02 -72.46 1 7 0 85 290.323 4 ↓

Activity (Go SEA)

Rings

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

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