UCSF

ZINC60119259

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 36 Yes

Popular Name: 2-amino-9-[(2R,3S,4R,5R)-3,4-dihydroxy-5-[3-[2-[2-[2-(propylamino)ethylamino]ethylamino]ethylamino]p 2-amino-9-[(2R,3S,4R,5R)-3,4-dih…

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) -2.51 -0.34 -205.39 12 14 3 210 514.652 18 ↓
Hi High (pH 8-9.5) -2.51 -3.04 -60.13 10 14 1 201 512.636 18 ↓
Hi High (pH 8-9.5) -2.51 -1.68 -107.65 11 14 2 206 513.644 18 ↓
Mid Mid (pH 6-8) -2.51 -1.67 -116.39 11 14 2 206 513.644 18 ↓
Lo Low (pH 4.5-6) -2.51 0.99 -346.54 13 14 4 215 515.66 18 ↓
Lo Low (pH 4.5-6) -2.51 -0.34 -206.23 12 14 3 210 514.652 18 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.