UCSF

ZINC35894842

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 33 No

Popular Name: (4aR,5R)-3-cyclopentyl-N-(2-morpholinoethyl)-8-nitro-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline- (4aR,5R)-3-cyclopentyl-N-(2-morp…

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) 2.60 8.4 -58.38 2 9 1 95 458.583 6 ↓
Mid Mid (pH 6-8) 2.60 10.67 -108.18 3 9 2 96 459.591 6 ↓
Mid Mid (pH 6-8) 2.60 6.22 -14.97 1 9 0 94 457.575 6 ↓

Activity (Go SEA)

Rings

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