UCSF

ZINC69145779

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 19 Yes

Popular Name: (2S)-3-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-amino-2-cyclopropyl-propano (2S)-3-[(4aR,8aS)-2,3,4a,5,6,7,8…

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) -0.82 3.89 -36.28 3 5 0 80 268.357 4 ↓
Hi High (pH 8-9.5) -0.82 3.55 -47.14 2 5 -1 79 267.349 4 ↓
Lo Low (pH 4.5-6) -0.82 5.65 -73.64 4 5 1 81 269.365 4 ↓

Activity (Go SEA)

Rings

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

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