UCSF

ZINC43423601

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 Yes

Popular Name: 2-[[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]methyl]-3-bromo-aniline 2-[[(4aS,7aS)-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) 2.67 3.48 -4.17 2 3 0 38 311.223 2 ↓
Lo Low (pH 4.5-6) 2.67 5.76 -29.53 3 3 1 40 312.231 2 ↓

Activity (Go SEA)

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