UCSF

ZINC43426645

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 Yes

Popular Name: [2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-3-quinolyl]methanamine [2-[(4aS,7aR)-3,4a,5,6,7,7a-hexa…

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) 2.23 6.22 -54.51 3 4 1 53 284.383 2 ↓
Hi High (pH 8-9.5) 2.23 5.86 -7.58 2 4 0 51 283.375 2 ↓
Mid Mid (pH 6-8) 2.23 6.64 -105.07 4 4 2 54 285.391 2 ↓

Activity (Go SEA)

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