UCSF

ZINC49808371

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2010 30 Yes

Popular Name: (2S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-[(1S)-1-hydroxy (2S)-4-amino-N-[(1R,2S,3R,4R,5S)…

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) -5.46 -15.6 -194.38 16 13 3 252 441.502 7 ↓
Hi High (pH 8-9.5) -5.46 -17.05 -60.32 14 13 1 249 439.486 7 ↓
Mid Mid (pH 6-8) -5.46 -15.98 -123.88 15 13 2 250 440.494 7 ↓

Activity (Go SEA)

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