UCSF

ZINC35894574

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 27 No

Popular Name: [(4aS,5S)-3-methyl-8-nitro-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-5-yl]-(4-methylpiperazin-1- [(4aS,5S)-3-methyl-8-nitro-1,2,4…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.46 7.71 -60.42 1 8 1 77 374.465 2 ↓
Mid Mid (pH 6-8) 1.46 10.06 -116.53 2 8 2 78 375.473 2 ↓
Mid Mid (pH 6-8) 1.46 5.38 -14.15 0 8 0 76 373.457 2 ↓

Activity (Go SEA)

Rings

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