UCSF

ZINC38120925

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2009 18 Yes

Popular Name: [(2R)-2-piperazin-1-yltetralin-2-yl]methanol [(2R)-2-piperazin-1-yltetralin-2…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.38 3.44 -28.44 2 3 0 40 246.354 2 ↓
Hi High (pH 8-9.5) 1.38 0.78 -3.82 2 3 0 35 246.354 2 ↓
Mid Mid (pH 6-8) 1.38 2.11 -40.9 3 3 1 40 247.362 2 ↓
Lo Low (pH 4.5-6) 1.38 4.25 -117.21 4 3 2 41 248.37 2 ↓
Lo Low (pH 4.5-6) 1.38 2.89 -30.45 3 3 1 37 247.362 2 ↓

Activity (Go SEA)

Rings

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

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