UCSF

ZINC40234021

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 32 No

Popular Name: 1-cyclopropyl-7-(3-methyl-3,9-diaza-6-azoniaspiro[5.5]undecan-9-yl)-6-nitro-4-oxo-quinoline-3-carbox 1-cyclopropyl-7-(3-methyl-3,9-di…

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) -3.42 12.84 -102.8 0 10 0 114 441.488 4 ↓
Mid Mid (pH 6-8) -3.42 15.27 -183.88 1 10 1 116 442.496 4 ↓
Lo Low (pH 4.5-6) -5.15 12.56 -174.57 2 10 2 119 443.504 3 ↓

Activity (Go SEA)

Rings

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