UCSF

ZINC58315216

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 24 Yes

Popular Name: 3-[(2R)-3-[benzyl(methyl)amino]-2-hydroxy-propyl]-1,2,3-benzotriazin-4-one 3-[(2R)-3-[benzyl(methyl)amino]-…

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) 1.70 6.26 -43.52 2 6 1 72 325.392 6 ↓
Hi High (pH 8-9.5) 1.70 3.87 -10.88 1 6 0 71 324.384 6 ↓

Activity (Go SEA)

Rings

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

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