UCSF

ZINC37320114

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 19 Yes

Popular Name: (1R,5R,6R)-N-[(1S)-1-(imidazol-1-ylmethyl)-2,2-dimethyl-propyl]bicyclo[3.2.0]hept-3-en-6-amine (1R,5R,6R)-N-[(1S)-1-(imidazol-1…

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) 2.98 10.79 -99.75 3 3 2 36 261.413 5 ↓
Mid Mid (pH 6-8) 2.98 10.27 -37.13 2 3 1 34 260.405 5 ↓

Activity (Go SEA)

Rings

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

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