UCSF

ZINC62153990

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2011 36 No

Popular Name: (1S,3aS,6Z,9S,9aR,10R,11aS)-6-[[3-(dimethylamino)propyl-methyl-amino]methylene]-1,5,10-trihydroxy-9- (1S,3aS,6Z,9S,9aR,10R,11aS)-6-[[…

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) 1.08 6.89 -76.26 3 9 0 124 504.624 7 ↓
Mid Mid (pH 6-8) 1.08 6.09 -52.31 4 9 1 121 505.632 7 ↓
Mid Mid (pH 6-8) 1.08 6.04 -71.93 3 9 0 124 504.624 7 ↓

Activity (Go SEA)

Rings

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

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